Geometry & MOs

Info

ID:	22374
PubChem CID:	597037
Reduced:	ON2H7C10 (2)
Stoich.:	AB2C7D10 (2)
Weight, g/mol:	342.111676
ΔH_f, kcal/mol:	133.81
Dipole, Da:	2.6
IP(EA), eV:	-9.21(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-nitrophenyl)-4,5-diphenyltriazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C(N(N=N2)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4

DOS

IR

Vibrations