Geometry & MOs

Info

ID:	266647
PubChem CID:	103577740
Reduced:	SN3C14H19 (1)
Stoich.:	AB3C14D19 (1)
Weight, g/mol:	235.087625
ΔH_f, kcal/mol:	42.46
Dipole, Da:	5.53
IP(EA), eV:	-8.45(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-amino-4-methylpyrrolidin-1-yl)-4-chlorobenzonitrile

Drug info:

PubChemData

Smile

CCSC1=CC=CC(=C1C#N)N2CC(C(C2)N)C

DOS

IR

Vibrations