Geometry & MOs

Info

ID:	57323
PubChem CID:	22395661
Reduced:	O4C9H12 (1)
Stoich.:	A4B9C12 (1)
Weight, g/mol:	311.222234
ΔH_f, kcal/mol:	-148.57
Dipole, Da:	4.14
IP(EA), eV:	-10.08(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

(9E,12E)-2,2-dihydroxyoctadeca-9,12-dienoate

Drug info:

PubChemData

Smile

CCCC(=O)/C=C/C=C(\C(=O)O)/O

DOS

IR

Vibrations