Geometry & MOs

Info

ID:	392755
PubChem CID:	135017853
Reduced:	IO4H19C20 (1)
Stoich.:	AB4C19D20 (1)
Weight, g/mol:	315.137162
ΔH_f, kcal/mol:	-97.14
Dipole, Da:	1.3
IP(EA), eV:	-9.51(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(benzotriazol-1-yl)-1,2-diphenylethanol

Drug info:

PubChemData

Smile

COC(=O)C1=CC(=CC(=C1C(=O)OC)CCC=C)C2=CC=C(C=C2)I

DOS

IR

Vibrations