Geometry & MOs

Info

ID:	19216
PubChem CID:	558238
Reduced:	OC12H16 (1)
Stoich.:	AB12C16 (1)
Weight, g/mol:	176.120115
ΔH_f, kcal/mol:	14.2
Dipole, Da:	4.66
IP(EA), eV:	-8.63(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,4a-dimethyl-1,5,8,8a-tetrahydronaphthalen-2-one

Drug info:

PubChemData

Smile

CC1=CC(=O)CC2C1(CC=CC2)C

DOS

IR

Vibrations