Geometry & MOs

Info

ID:	9969
PubChem CID:	95601
Reduced:	OC14H22 (1)
Stoich.:	AB14C22 (1)
Weight, g/mol:	206.167065
ΔH_f, kcal/mol:	-75.65
Dipole, Da:	3.68
IP(EA), eV:	-8.99(0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(8,8-dimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl)ethanone

Drug info:

PubChemData

Smile

CC(=O)C1CCC2=C(C1)C(CCC2)(C)C

DOS

IR

Vibrations