Geometry & MOs

Info

ID:	9154
PubChem CID:	86671
Reduced:	OC15H22 (1)
Stoich.:	AB15C22 (1)
Weight, g/mol:	218.167065
ΔH_f, kcal/mol:	-55.39
Dipole, Da:	2.66
IP(EA), eV:	-9.26(0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7,8a-dimethyl-3-prop-1-en-2-yl-2,3,4,4a,5,8-hexahydronaphthalen-1-one

Drug info:

PubChemData

Smile

CC1=CCC2CC(CC(=O)C2(C1)C)C(=C)C

DOS

IR

Vibrations