Geometry & MOs

Info

ID:	216520
PubChem CID:	85086359
Reduced:	O3C17H24 (1)
Stoich.:	A3B17C24 (1)
Weight, g/mol:	276.20893
ΔH_f, kcal/mol:	-134.78
Dipole, Da:	0.71
IP(EA), eV:	-8.8(0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5a-hydroxy-3a-methyl-1-propan-2-yl-2,3,7,8,9,10,10a,10b-octahydro-1H-cyclohepta[e]inden-6-one

Drug info:

PubChemData

Smile

CC1CCC2(C1(CC3=C(C2C)C=CO3)COC(=O)C)C

DOS

IR

Vibrations