Geometry & MOs

Info

ID:	20238
PubChem CID:	582785
Reduced:	ClO3N5H6C9 (1)
Stoich.:	AB3C5D6E9 (1)
Weight, g/mol:	267.015917
ΔH_f, kcal/mol:	39.37
Dipole, Da:	8.45
IP(EA), eV:	-9.82(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-(4-nitrophenyl)-2H-triazole-4-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1NC(=O)C2=NNN=C2Cl)[N+](=O)[O-]

DOS

IR

Vibrations