Geometry & MOs

Info

ID:	2886
PubChem CID:	8781
Reduced:	OC6H11 (4)
Stoich.:	AB6C11 (4)
Weight, g/mol:	396.32396
ΔH_f, kcal/mol:	-261.21
Dipole, Da:	2.47
IP(EA), eV:	-9.64(0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butyl 12-acetyloxyoctadec-9-enoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations