Geometry & MOs

Info

ID:	57324
PubChem CID:	22395662
Reduced:	O4C18H31 (1)
Stoich.:	A4B18C31 (1)
Weight, g/mol:	312.23006
ΔH_f, kcal/mol:	-197.36
Dipole, Da:	0.85
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.753169
Charge, e:	0

Chem-info

IUPAC name:

(9E,12E)-2,2-dihydroxyoctadeca-9,12-dienoic acid

Drug info:

PubChemData

Smile

CCCCC/C=C/C/C=C/CCCCCCC(C(=O)[O-])(O)O

DOS

IR

Vibrations