Geometry & MOs

Info

ID:	1859
PubChem CID:	5218
Reduced:	O6C25H40 (1)
Stoich.:	A6B25C40 (1)
Weight, g/mol:	436.282489
ΔH_f, kcal/mol:	-325.34
Dipole, Da:	5.55
IP(EA), eV:	-8.94(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[8-(2,2-dimethylbutanoyloxy)-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic acid

Drug info:

PubChemData

Smile

CCC(C)(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC(CC(CC(=O)O)O)O)C

DOS

IR

Vibrations