Geometry & MOs

Info

ID:	19471
PubChem CID:	564529
Reduced:	OC12H18 (1)
Stoich.:	AB12C18 (1)
Weight, g/mol:	178.135765
ΔH_f, kcal/mol:	-56.59
Dipole, Da:	3.54
IP(EA), eV:	-9.67(0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-propan-2-yl-1,3,3a,4,7,7a-hexahydroinden-2-one

Drug info:

PubChemData

Smile

CC(C)C1C=CCC2C1CC(=O)C2

DOS

IR

Vibrations