Geometry & MOs

Info

ID:	23642
PubChem CID:	605304
Reduced:	ON2H3C4 (2)
Stoich.:	AB2C3D4 (2)
Weight, g/mol:	190.049075
ΔH_f, kcal/mol:	80.21
Dipole, Da:	5.52
IP(EA), eV:	-10.08(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-nitrophenyl)-2H-triazole

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=NNN=C2)[N+](=O)[O-]

DOS

IR

Vibrations