Geometry & MOs

Info

ID:	19808
PubChem CID:	573216
Reduced:	OC19H24 (1)
Stoich.:	AB19C24 (1)
Weight, g/mol:	268.182715
ΔH_f, kcal/mol:	-41.2
Dipole, Da:	2.93
IP(EA), eV:	-8.85(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8a-methyl-2-[(4-methylphenyl)methylidene]-4,4a,5,6,7,8-hexahydro-3H-naphthalen-1-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C=C2CCC3CCCCC3(C2=O)C

DOS

IR

Vibrations