Geometry & MOs

Info

ID:	448649
PubChem CID:	135292474
Reduced:	O2N3C21H33 (1)
Stoich.:	A2B3C21D33 (1)
Weight, g/mol:	331.225977
ΔH_f, kcal/mol:	-84.28
Dipole, Da:	6.51
IP(EA), eV:	-9.67(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-amino-2-(3-hydroxy-3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile

Drug info:

PubChemData

Smile

CCC1CC2CC(CC(C2)(C1)C(C(=O)N3C(CC4C3C4C)C#N)N)(C)O

DOS

IR

Vibrations