Geometry & MOs

Info

ID:	24135
PubChem CID:	608004
Reduced:	OC15H18 (1)
Stoich.:	AB15C18 (1)
Weight, g/mol:	214.135765
ΔH_f, kcal/mol:	-42.88
Dipole, Da:	2.91
IP(EA), eV:	-9.21(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3a,9b-dimethyl-1,2,4,5-tetrahydrocyclopenta[a]naphthalen-3-one

Drug info:

PubChemData

Smile

CC12CCC3=CC=CC=C3C1(CCC2=O)C

DOS

IR

Vibrations