Geometry & MOs

Info

ID:	23643
PubChem CID:	605305
Reduced:	ON2H3C4 (2)
Stoich.:	AB2C3D4 (2)
Weight, g/mol:	190.049075
ΔH_f, kcal/mol:	94.1
Dipole, Da:	4.84
IP(EA), eV:	-10.76(-2.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-nitrophenyl)-3H-1,2,4-triazole

Drug info:

PubChemData

Smile

C1N=C(N=N1)C2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations