Geometry & MOs

Info

ID:	184843
PubChem CID:	77219518
Reduced:	ClON4C20H23 (1)
Stoich.:	ABC4D20E23 (1)
Weight, g/mol:	334.179361
ΔH_f, kcal/mol:	-8.89
Dipole, Da:	2.97
IP(EA), eV:	-9.34(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-N-[3-(2-cyano-4-phenylphenyl)pyrrolidin-3-yl]propanamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1(CCNC1)C2=C(C=C(C=C2)C3=CC=CC=C3)C#N)N.Cl

DOS

IR

Vibrations