Geometry & MOs

Info

ID:	53177
PubChem CID:	14709704
Reduced:	O4N5H11C15 (1)
Stoich.:	A4B5C11D15 (1)
Weight, g/mol:	325.081104
ΔH_f, kcal/mol:	21.17
Dipole, Da:	13.07
IP(EA), eV:	-9.44(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)NC2=NC(=O)N(N2)C3=CC(=CC=C3)[N+](=O)[O-]

DOS

IR

Vibrations