Geometry & MOs

Info

ID:	2885
PubChem CID:	8780
Reduced:	O4C21H38 (1)
Stoich.:	A4B21C38 (1)
Weight, g/mol:	354.27701
ΔH_f, kcal/mol:	-243.46
Dipole, Da:	2.04
IP(EA), eV:	-9.54(0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 12-acetyloxyoctadec-9-enoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations