Geometry & MOs

Info

ID:	399582
PubChem CID:	135041083
Reduced:	O3H16C17 (1)
Stoich.:	A3B16C17 (1)
Weight, g/mol:	317.01637
ΔH_f, kcal/mol:	-53.06
Dipole, Da:	2.12
IP(EA), eV:	-9.27(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C(/C=C/C2=CC=CC=C2C=O)O

DOS

IR

Vibrations