Geometry & MOs

Info

ID:	386089
PubChem CID:	134980745
Reduced:	O2H7C8 (2)
Stoich.:	A2B7C8 (2)
Weight, g/mol:	268.1075
ΔH_f, kcal/mol:	-107.2
Dipole, Da:	4.65
IP(EA), eV:	-9.94(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,6S)-4-methyl-6-(trifluoromethyl)cyclohex-3-en-1-yl]-phenylmethanone

Drug info:

PubChemData

Smile

COC1=CC(=O)C[C@H]2[C@@H]1C(=O)C=C(O2)C3=CC=CC=C3

DOS

IR

Vibrations