Geometry & MOs

Info

ID:	51200
PubChem CID:	12013837
Reduced:	N4O5H30C38 (1)
Stoich.:	A4B5C30D38 (1)
Weight, g/mol:	292.251464
ΔH_f, kcal/mol:	-79.99
Dipole, Da:	3.26
IP(EA), eV:	-8.99(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,6R,8R,10S,11R,14S,15R)-2,2,6,12,14-pentamethyl-9-oxa-1,12-diazatetracyclo[8.6.0.03,8.011,15]hexadecane

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC1=CC=C(C=C1)N2C(=O)CC(C2=O)[C@]34[C@@H]5[C@@H](C(=O)N(C5=O)C6=CC=C(C=C6)C)[C@]7(N3C8=CC=CC=C8C(=O)N7C)C9=CC=CC=C49

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC1=CC=C(C=C1)N2C(=O)CC(C2=O)[C@]34[C@@H]5[C@@H](C(=O)N(C5=O)C6=CC=C(C=C6)C)[C@]7(N3C8=CC=CC=C8C(=O)N7C)C9=CC=CC=C49

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):