Geometry & MOs

Info

ID:	24917
PubChem CID:	614485
Reduced:	O2C13H21 (2)
Stoich.:	A2B13C21 (2)
Weight, g/mol:	418.30831
ΔH_f, kcal/mol:	-215.59
Dipole, Da:	4.56
IP(EA), eV:	-10.1(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

phenacyl 14-hydroxyoctadecanoate

Drug info:

PubChemData

Smile

CCCCC(CCCCCCCCCCCCC(=O)OCC(=O)C1=CC=CC=C1)O

DOS

IR

Vibrations