Geometry & MOs

Info

ID:	11944
PubChem CID:	124179
Reduced:	O3C28H52 (1)
Stoich.:	A3B28C52 (1)
Weight, g/mol:	436.391646
ΔH_f, kcal/mol:	-229.18
Dipole, Da:	2.94
IP(EA), eV:	-9.83(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-heptyl-12-oxohenicos-13-enoic acid

Drug info:

PubChemData

Smile

CCCCCCCC=CC(=O)CCCCCCCCCC(CCCCCCC)C(=O)O

DOS

IR

Vibrations