Geometry & MOs

Info

ID:	327162
PubChem CID:	126689128
Reduced:	Cl2N2O4H16C17 (1)
Stoich.:	A2B2C4D16E17 (1)
Weight, g/mol:	197.095297
ΔH_f, kcal/mol:	-77.89
Dipole, Da:	6.22
IP(EA), eV:	-9.89(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzene;2H-benzotriazole

Drug info:

PubChemData

Smile

CC(C)(C)C1=C(C=CC(=C1O)C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl)Cl

DOS

IR

Vibrations