Geometry & MOs

Info

ID:	3000
PubChem CID:	9026
Reduced:	O3C22H42 (1)
Stoich.:	A3B22C42 (1)
Weight, g/mol:	354.313395
ΔH_f, kcal/mol:	-212.41
Dipole, Da:	2.38
IP(EA), eV:	-9.54(0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butyl 12-hydroxyoctadec-9-enoate

Drug info:

PubChemData

Smile

CCCCCCC(CC=CCCCCCCCC(=O)OCCCC)O

DOS

IR

Vibrations