Geometry & MOs

Info

ID:	144818
PubChem CID:	53417733
Reduced:	ON2C11H14 (1)
Stoich.:	AB2C11D14 (1)
Weight, g/mol:	259.05124
ΔH_f, kcal/mol:	-28.12
Dipole, Da:	3.89
IP(EA), eV:	-9.49(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-1-(4-methoxyphenyl)benzotriazole

Drug info:

PubChemData

Smile

C1C(CNC1=O)C2=CC=C(C=C2)CN

DOS

IR

Vibrations