Geometry & MOs

Info

ID:	13150
PubChem CID:	222126
Reduced:	ClO3C21H25 (1)
Stoich.:	AB3C21D25 (1)
Weight, g/mol:	360.149222
ΔH_f, kcal/mol:	-130.92
Dipole, Da:	1.63
IP(EA), eV:	-9.05(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

octyl 5-chloro-2-hydroxy-3-phenylbenzoate

Drug info:

PubChemData

Smile

CCCCCCCCOC(=O)C1=CC(=CC(=C1O)C2=CC=CC=C2)Cl

DOS

IR

Vibrations