Geometry & MOs

Info

ID:	23213
PubChem CID:	602787
Reduced:	ON3H11C13 (1)
Stoich.:	AB3C11D13 (1)
Weight, g/mol:	225.090212
ΔH_f, kcal/mol:	67.84
Dipole, Da:	4.2
IP(EA), eV:	-8.72(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methoxyphenyl)benzotriazole

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2C3=CC=CC=C3N=N2

DOS

IR

Vibrations