Geometry & MOs

Info

ID:	149030
PubChem CID:	53788701
Reduced:	FOC20H29 (1)
Stoich.:	ABC20D29 (1)
Weight, g/mol:	502.474981
ΔH_f, kcal/mol:	-96.02
Dipole, Da:	2.9
IP(EA), eV:	-8.51(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hexadec-9-enyl-3-oxooctadec-11-enal

Drug info:

PubChemData

Smile

CCCCOC1=CC=C(C=C1)C2CCC(CC2)CCC=CF

DOS

IR

Vibrations