Geometry & MOs

Info

ID:	9324
PubChem CID:	87942
Reduced:	OC13H25 (2)
Stoich.:	AB13C25 (2)
Weight, g/mol:	394.381081
ΔH_f, kcal/mol:	-187.86
Dipole, Da:	1.56
IP(EA), eV:	-9.46(0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

octadec-9-enyl octanoate

Drug info:

PubChemData

Smile

CCCCCCCCC=CCCCCCCCCOC(=O)CCCCCCC

DOS

IR

Vibrations