Geometry & MOs

Info

ID:	252296
PubChem CID:	103110350
Reduced:	NOC7H11 (2)
Stoich.:	ABC7D11 (2)
Weight, g/mol:	244.157563
ΔH_f, kcal/mol:	-89.75
Dipole, Da:	6.34
IP(EA), eV:	-8.44(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-amino-2-methylphenyl)methyl]bicyclo[3.1.0]hexane-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1N)CNC(=O)CC(C)COC

DOS

IR

Vibrations