Geometry & MOs

Info

ID:	305198
PubChem CID:	124767514
Reduced:	N2O3C30H30 (1)
Stoich.:	A2B3C30D30 (1)
Weight, g/mol:	466.225643
ΔH_f, kcal/mol:	-56.67
Dipole, Da:	8.5
IP(EA), eV:	-8.64(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[[(1S,2R,10S,11R,12S)-10-phenyl-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-3(8),4,6-triene-5-carbonyl]amino]benzoate

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

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2)N[C@H]([C@H]4[C@H]3[C@H]5CC[C@H]4C5)C6=CC=CC=C6

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

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2)N[C@H]([C@H]4[C@H]3[C@H]5CC[C@H]4C5)C6=CC=CC=C6

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):