Geometry & MOs

Info

ID:	24380
PubChem CID:	609794
Reduced:	OC14H22 (1)
Stoich.:	AB14C22 (1)
Weight, g/mol:	206.167065
ΔH_f, kcal/mol:	-67.13
Dipole, Da:	3.56
IP(EA), eV:	-9.24(0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4a,5,8a-tetramethyl-3,4,7,8-tetrahydro-2H-naphthalen-1-one

Drug info:

PubChemData

Smile

CC1CCC2(C(=CCCC2(C1=O)C)C)C

DOS

IR

Vibrations