Geometry & MOs

Info

ID:	226925
PubChem CID:	87558977
Reduced:	O5C11H18 (1)
Stoich.:	A5B11C18 (1)
Weight, g/mol:	328.276616
ΔH_f, kcal/mol:	-230.7
Dipole, Da:	6.58
IP(EA), eV:	-10.72(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1E,3E,5E,7Z,9Z,11E)-2-methyldocosa-1,3,5,7,9,11-hexaen-1-ol

Drug info:

PubChemData

Smile

CCCCOC(=O)C(CC=C)(CC(=O)O)O

DOS

IR

Vibrations