Geometry & MOs

Info

ID:	403117
PubChem CID:	135058812
Reduced:	NC5H5 (3)
Stoich.:	AB5C5 (3)
Weight, g/mol:	251.142248
ΔH_f, kcal/mol:	79.14
Dipole, Da:	5.19
IP(EA), eV:	-8.92(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,5-dimethylphenyl)-5,6-dimethylbenzotriazole

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)N2C3=C(C=CC(=C3)C)N=N2

DOS

IR

Vibrations