Geometry & MOs

Info

ID:	23758
PubChem CID:	605974
Reduced:	OC13H20 (1)
Stoich.:	AB13C20 (1)
Weight, g/mol:	192.151415
ΔH_f, kcal/mol:	-69.79
Dipole, Da:	3.98
IP(EA), eV:	-9.47(0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,7,7-trimethyl-1,3,5,6,8,8a-hexahydronaphthalen-2-one

Drug info:

PubChemData

Smile

CC1CC(CC2C1=CCC(=O)C2)(C)C

DOS

IR

Vibrations