Geometry & MOs

Info

ID:	140366
PubChem CID:	52687446
Reduced:	O2N3C23H30 (1)
Stoich.:	A2B3C23D30 (1)
Weight, g/mol:	379.225977
ΔH_f, kcal/mol:	-34.37
Dipole, Da:	3.18
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.995554
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-[[3-(diethylaminomethyl)phenyl]methyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC[NH+](CC)CC1=CC=CC(=C1)CNC(=O)[C@H]2CC(=O)N(C2)C3=CC=CC=C3

DOS

IR

Vibrations