Geometry & MOs

Info

ID:	48188
PubChem CID:	10537781
Reduced:	O3C14H20 (1)
Stoich.:	A3B14C20 (1)
Weight, g/mol:	236.141244
ΔH_f, kcal/mol:	-131.06
Dipole, Da:	4.32
IP(EA), eV:	-9.76(0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,7S,7aS)-7-hydroxy-2,2,7-trimethylspiro[3,3a,4,7a-tetrahydroindene-6,1'-cyclopropane]-1,5-dione

Drug info:

PubChemData

Smile

C/C=C/[C@@H]1CC[C@@]2(CC[C@]1(C2=O)C)C(=O)OC

DOS

IR

Vibrations