Geometry & MOs

Info

ID:	11533
PubChem CID:	117309
Reduced:	OC13H25 (2)
Stoich.:	AB13C25 (2)
Weight, g/mol:	394.381081
ΔH_f, kcal/mol:	-185.51
Dipole, Da:	1.98
IP(EA), eV:	-9.53(0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethylhexyl octadec-9-enoate

Drug info:

PubChemData

Smile

CCCCCCCCC=CCCCCCCCC(=O)OCC(CC)CCCC

DOS

IR

Vibrations