Geometry & MOs

Info

ID:	403686
PubChem CID:	135061360
Reduced:	O2C17H18 (1)
Stoich.:	A2B17C18 (1)
Weight, g/mol:	218.088753
ΔH_f, kcal/mol:	-44.1
Dipole, Da:	4.92
IP(EA), eV:	-8.85(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-dideuterio-4-[4-(trifluoromethyl)phenyl]butan-2-one

Drug info:

PubChemData

Smile

CCCC(=O)C1=CC=CC=C1C2=CC=C(C=C2)OC

DOS

IR

Vibrations