Geometry & MOs

Info

ID:	12387
PubChem CID:	136693
Reduced:	NH3C4 (3)
Stoich.:	AB3C4 (3)
Weight, g/mol:	195.079647
ΔH_f, kcal/mol:	108.28
Dipole, Da:	4.29
IP(EA), eV:	-9.08(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-phenylbenzotriazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=CC=CC=C3N=N2

DOS

IR

Vibrations