Geometry & MOs

Info

ID:	11605
PubChem CID:	118134
Reduced:	OC13H22 (1)
Stoich.:	AB13C22 (1)
Weight, g/mol:	194.167065
ΔH_f, kcal/mol:	-88.97
Dipole, Da:	3.93
IP(EA), eV:	-9.86(0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-one

Drug info:

PubChemData

Smile

CC(C)C1CCC2CC(=O)CCC2C1

DOS

IR

Vibrations