Geometry & MOs

Info

ID:	220606
PubChem CID:	85197950
Reduced:	OC5H8 (4)
Stoich.:	AB5C8 (4)
Weight, g/mol:	336.23006
ΔH_f, kcal/mol:	-202.26
Dipole, Da:	2.28
IP(EA), eV:	-8.82(0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-hydroxy-5-(3-hydroxy-5,5,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalen-2-yl)-4-propan-2-yloxolan-2-one

Drug info:

PubChemData

Smile

CCCC=C1C=C(CC(C1CCC)(C(=O)OCC)C(=O)OCC)C

DOS

IR

Vibrations