Geometry & MOs

Info

ID:	21625
PubChem CID:	589297
Reduced:	O2C10H19 (2)
Stoich.:	A2B10C19 (2)
Weight, g/mol:	342.27701
ΔH_f, kcal/mol:	-230.16
Dipole, Da:	3.38
IP(EA), eV:	-9.42(0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 13-hydroxy-12-methoxyoctadec-9-enoate

Drug info:

PubChemData

Smile

CCCCCC(C(CC=CCCCCCCCC(=O)OC)OC)O

DOS

IR

Vibrations