Geometry & MOs

Info

ID:	1296
PubChem CID:	4111
Reduced:	O3C16H28 (1)
Stoich.:	A3B16C28 (1)
Weight, g/mol:	268.203845
ΔH_f, kcal/mol:	-160.77
Dipole, Da:	5.55
IP(EA), eV:	-9.46(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-methoxy-3,7,11-trimethyldodeca-2,4-dienoic acid

Drug info:

PubChemData

Smile

CC(CCCC(C)(C)OC)CC=CC(=CC(=O)O)C

DOS

IR

Vibrations