Geometry & MOs

Info

ID:	385857
PubChem CID:	134980156
Reduced:	OC4H6 (3)
Stoich.:	AB4C6 (3)
Weight, g/mol:	294.12315
ΔH_f, kcal/mol:	-118.9
Dipole, Da:	0.34
IP(EA), eV:	-9.71(0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aS,8aR)-8a-phenyl-6-(trifluoromethyl)-2,3,4,4a,5,8-hexahydronaphthalen-1-one

Drug info:

PubChemData

Smile

CCC([C@]1(C[C@@H]2C[C@H]1C=C2)C(=O)OC)O

DOS

IR

Vibrations