Geometry & MOs

Info

ID:	140616
PubChem CID:	52730701
Reduced:	O2N3C23H24 (1)
Stoich.:	A2B3C23D24 (1)
Weight, g/mol:	323.163377
ΔH_f, kcal/mol:	-16.67
Dipole, Da:	2.24
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.481681
Charge, e:	0

Chem-info

IUPAC name:

N-(4-carbamoylphenyl)-3-(pyrrolidin-1-ylmethyl)benzamide

Drug info:

PubChemData

Smile

C1C[C@H]([NH+](C1)CC2=CC(=CC=C2)NC(=O)C3=CC4=CC=CC=C4C=C3)C(=O)N

DOS

IR

Vibrations