Geometry & MOs

Info

ID:	378081
PubChem CID:	134224152
Reduced:	ClNF3O4H13C19 (1)
Stoich.:	ABC3D4E13F19 (1)
Weight, g/mol:	290.02652
ΔH_f, kcal/mol:	-269.5
Dipole, Da:	2.46
IP(EA), eV:	-9.39(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,6-dichlorophenyl)-2-(2-methylphenyl)prop-2-en-1-one

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C2=C(N1)C=C(C=C2)Cl)C(=O)C3=CC=C(C=C3)OC(F)(F)F

DOS

IR

Vibrations