Geometry & MOs

Info

ID:	299735
PubChem CID:	117688994
Reduced:	OC11H14 (1)
Stoich.:	AB11C14 (1)
Weight, g/mol:	358.214409
ΔH_f, kcal/mol:	-31.59
Dipole, Da:	1.95
IP(EA), eV:	-8.97(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-hydroxy-3-[(2Z)-3-(hydroxymethyl)-7-methylocta-2,6-dienyl]-5-[(E)-3-methylbut-1-enyl]benzoic acid

Drug info:

PubChemData

Smile

CC1CCCOC2=CC=CC=C12

DOS

IR

Vibrations