Geometry & MOs

Info

ID:	230213
PubChem CID:	87570428
Reduced:	OC13H24 (2)
Stoich.:	AB13C24 (2)
Weight, g/mol:	392.365431
ΔH_f, kcal/mol:	-174.25
Dipole, Da:	4.9
IP(EA), eV:	-9.12(0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,7-dimethyl-2-[(2E,6E)-octa-2,6-dienyl]hexadecanoic acid

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCC(C/C=C(\C)/CCC=C(C)C)C(=O)O

DOS

IR

Vibrations