Geometry & MOs

Info

ID:	61459
PubChem CID:	26709646
Reduced:	N2O3C21H24 (1)
Stoich.:	A2B3C21D24 (1)
Weight, g/mol:	397.01516
ΔH_f, kcal/mol:	-102.02
Dipole, Da:	6.68
IP(EA), eV:	-8.6(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4,5-trichloro-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)OCC(=O)NCC2=CC=C(C=C2)N3CCCC3=O)C

DOS

IR

Vibrations