Geometry & MOs

Info

ID:	47988
PubChem CID:	10536193
Reduced:	O2C13H16 (1)
Stoich.:	A2B13C16 (1)
Weight, g/mol:	204.151415
ΔH_f, kcal/mol:	-34.62
Dipole, Da:	0.7
IP(EA), eV:	-9.25(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aS,5R,8S)-5-methyl-8-prop-1-en-2-yl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-one

Drug info:

PubChemData

Smile

CO[C@@H](C=C)[C@H](/C=C/C1=CC=CC=C1)O

DOS

IR

Vibrations