Geometry & MOs

Info

ID:	403762
PubChem CID:	135061774
Reduced:	OC13H20 (1)
Stoich.:	AB13C20 (1)
Weight, g/mol:	178.135765
ΔH_f, kcal/mol:	-54.66
Dipole, Da:	3.72
IP(EA), eV:	-9.49(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS)-3a,5,5-trimethyl-2,3,4,6-tetrahydroinden-1-one

Drug info:

PubChemData

Smile

CC(=C1CC2CCCCCC2C1=O)C

DOS

IR

Vibrations