Geometry & MOs

Info

ID:	53174
PubChem CID:	14709699
Reduced:	O4N5H11C15 (1)
Stoich.:	A4B5C11D15 (1)
Weight, g/mol:	314.057053
ΔH_f, kcal/mol:	33.86
Dipole, Da:	8.98
IP(EA), eV:	-9.8(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-chlorophenyl)-3-oxo-1H-1,2,4-triazol-5-yl]benzamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=NO2)NC(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations