Geometry & MOs

Info

ID:	61194
PubChem CID:	26706949
Reduced:	N3O4C21H25 (1)
Stoich.:	A3B4C21D25 (1)
Weight, g/mol:	413.150619
ΔH_f, kcal/mol:	-146.04
Dipole, Da:	7.53
IP(EA), eV:	-9.0(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-[4-(diethylcarbamoyl)phenyl]-2-(2-oxopyrrolidin-1-yl)benzamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC(=O)OCC

DOS

IR

Vibrations