Geometry & MOs

Info

ID:	61465
PubChem CID:	26709749
Reduced:	N3O4H17C19 (1)
Stoich.:	A3B4C17D19 (1)
Weight, g/mol:	408.179755
ΔH_f, kcal/mol:	-28.62
Dipole, Da:	8.34
IP(EA), eV:	-8.91(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(=O)N(C1)C2=CC=CC=C2NC(=O)/C=C/C3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations