Geometry & MOs

Info

ID:	61460
PubChem CID:	26709654
Reduced:	O2Cl3N3H14C17 (1)
Stoich.:	A2B3C3D14E17 (1)
Weight, g/mol:	422.195405
ΔH_f, kcal/mol:	-47.0
Dipole, Da:	6.9
IP(EA), eV:	-8.73(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-nitro-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-piperidin-1-ylbenzamide

Drug info:

PubChemData

Smile

C1CC(=O)N(C1)C2=CC=C(C=C2)CNC(=O)C3=NC=C(C(=C3Cl)Cl)Cl

DOS

IR

Vibrations