Geometry & MOs

Info

ID:	266642
PubChem CID:	103577424
Reduced:	N3O3C14H21 (1)
Stoich.:	A3B3C14D21 (1)
Weight, g/mol:	279.03711
ΔH_f, kcal/mol:	-46.9
Dipole, Da:	8.11
IP(EA), eV:	-8.62(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-amino-4-methylpyrrolidin-1-yl)-5-bromobenzonitrile

Drug info:

PubChemData

Smile

CC1CN(CC1N)C2=CC(=CC(=C2)OC(C)C)[N+](=O)[O-]

DOS

IR

Vibrations