Geometry & MOs

Info

ID:	393936
PubChem CID:	135022017
Reduced:	OS2H22C23 (1)
Stoich.:	AB2C22D23 (1)
Weight, g/mol:	253.121512
ΔH_f, kcal/mol:	35.75
Dipole, Da:	2.1
IP(EA), eV:	-8.68(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(benzotriazol-1-yl)-1-(2-methylphenyl)ethanol

Drug info:

PubChemData

Smile

C1COC(C1C(SC2=CC=CC=C2)SC3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations