Geometry & MOs

Info

ID:	403116
PubChem CID:	135058811
Reduced:	N3O3C17H19 (1)
Stoich.:	A3B3C17D19 (1)
Weight, g/mol:	237.126598
ΔH_f, kcal/mol:	-25.58
Dipole, Da:	5.65
IP(EA), eV:	-9.19(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,5-dimethylphenyl)-6-methylbenzotriazole

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)C1=CC=CC=C1NC2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations