Geometry & MOs

Info

ID:	8337
PubChem CID:	76605
Reduced:	ON3C16H17 (1)
Stoich.:	AB3C16D17 (1)
Weight, g/mol:	267.137162
ΔH_f, kcal/mol:	45.06
Dipole, Da:	1.46
IP(EA), eV:	-8.85(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(benzotriazol-2-yl)-4-tert-butylphenol

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=C(C=C1)O)N2N=C3C=CC=CC3=N2

DOS

IR

Vibrations