Geometry & MOs

Info

ID:	377147
PubChem CID:	134223185
Reduced:	OC6H9 (2)
Stoich.:	AB6C9 (2)
Weight, g/mol:	246.16198
ΔH_f, kcal/mol:	-75.69
Dipole, Da:	6.21
IP(EA), eV:	-9.1(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3Z,6Z,8E,10E,12Z)-hexadeca-3,6,8,10,12-pentaenoic acid

Drug info:

PubChemData

Smile

CCCC/C=C/C=C/C=C/CC(=O)O

DOS

IR

Vibrations