Geometry & MOs

Info

ID:	27458
PubChem CID:	821439
Reduced:	O4C17H24 (1)
Stoich.:	A4B17C24 (1)
Weight, g/mol:	292.167459
ΔH_f, kcal/mol:	-188.12
Dipole, Da:	3.63
IP(EA), eV:	-9.09(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3'R,3'aR,5'aR,9'S)-3',5'a,9'-trimethylspiro[1,3-dioxolane-2,8'-3a,4,5,6,7,9-hexahydro-3H-benzo[g][1]benzofuran]-2'-one

Drug info:

PubChemData

Smile

C[C@@H]1[C@@H]2CC[C@@]3(CCC4([C@H](C3=C2OC1=O)C)OCCO4)C

DOS

IR

Vibrations