Geometry & MOs

Info

ID:	166891
PubChem CID:	74750972
Reduced:	O2N3C19H24 (1)
Stoich.:	A2B3C19D24 (1)
Weight, g/mol:	320.176287
ΔH_f, kcal/mol:	-38.84
Dipole, Da:	5.27
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.811742
Charge, e:	1

Chem-info

IUPAC name:

4-cyano-N-(2-phenyl-2-pyrrolidin-1-ium-1-ylethyl)benzamide

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)C2=CC=CC=C2)[NH2+]C(C)C(=O)NC(=O)NC

DOS

IR

Vibrations