Geometry & MOs

Info

ID:	34230
PubChem CID:	7890406
Reduced:	ClNO3H16C23 (1)
Stoich.:	ABC3D16E23 (1)
Weight, g/mol:	329.137556
ΔH_f, kcal/mol:	-36.04
Dipole, Da:	5.14
IP(EA), eV:	-8.94(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-butylphenyl)-2-(5-nitro-2-oxopyridin-1-yl)acetamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2)C(=O)COC(=O)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations