Geometry & MOs

Info

ID:	441545
PubChem CID:	135236014
Reduced:	OC6H8 (2)
Stoich.:	AB6C8 (2)
Weight, g/mol:	494.33961
ΔH_f, kcal/mol:	-92.68
Dipole, Da:	6.03
IP(EA), eV:	-9.96(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-dihydroxy-3-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-6-pentyl-5-[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]benzoic acid

Drug info:

PubChemData

Smile

C1CC(CC(=O)C1)C2=CC(=O)CCC2

DOS

IR

Vibrations