Geometry & MOs

Info

ID:	422531
PubChem CID:	135117993
Reduced:	N5O7C33H45 (1)
Stoich.:	A5B7C33D45 (1)
Weight, g/mol:	289.179027
ΔH_f, kcal/mol:	-230.35
Dipole, Da:	5.63
IP(EA), eV:	-8.76(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aR,6R,7aR)-6-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl-methylamino]-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-3-one

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

CC(C)[C@@H]1C(=O)NCCCC2=CC(=C(C=C2)OC)OCC(=O)NCCC[C@@H](C(=O)N[C@H](C(=O)N1)CC3=CC=CC=C3)NC(=O)C

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

CC(C)[C@@H]1C(=O)NCCCC2=CC(=C(C=C2)OC)OCC(=O)NCCC[C@@H](C(=O)N[C@H](C(=O)N1)CC3=CC=CC=C3)NC(=O)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):