Geometry & MOs

Info

ID:	391613
PubChem CID:	135007184
Reduced:	O5C12H20 (1)
Stoich.:	A5B12C20 (1)
Weight, g/mol:	238.156895
ΔH_f, kcal/mol:	-213.39
Dipole, Da:	1.23
IP(EA), eV:	-9.9(1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,7aS)-3a-hydroxy-7a-(3-methylbutyl)-3,4,6,7-tetrahydro-2H-indene-1,5-dione

Drug info:

PubChemData

Smile

CC1(OC[C@H](O1)[C@H]2[C@@H]3[C@@H](CO2)OC(O3)(C)C)C

DOS

IR

Vibrations