Geometry & MOs

Info

ID:	440681
PubChem CID:	135230913
Reduced:	NO3C9H17 (1)
Stoich.:	AB3C9D17 (1)
Weight, g/mol:	356.235145
ΔH_f, kcal/mol:	-163.81
Dipole, Da:	1.53
IP(EA), eV:	-10.4(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z,3Z)-2-[1-hydroxy-2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)ethylidene]-3-prop-2-ynylideneoctanoic acid

Drug info:

PubChemData

Smile

CC(N)OC(=O)OC1CCCCC1

DOS

IR

Vibrations