Geometry & MOs

Info

ID:	424198
PubChem CID:	135121724
Reduced:	NC11H15 (1)
Stoich.:	AB11C15 (1)
Weight, g/mol:	323.101839
ΔH_f, kcal/mol:	22.79
Dipole, Da:	1.6
IP(EA), eV:	-9.46(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

nitro-[1-[2-oxo-2-(4-phenylphenyl)ethyl]-1,2,4-triazol-4-ium-4-yl]azanide

Drug info:

PubChemData

Smile

C/C=C/CC(C)C1=CC=CC=N1

DOS

IR

Vibrations