Geometry & MOs

Info

ID:	194674
PubChem CID:	78573816
Reduced:	NO5C23H25 (1)
Stoich.:	AB5C23D25 (1)
Weight, g/mol:	278.030999
ΔH_f, kcal/mol:	-147.24
Dipole, Da:	5.68
IP(EA), eV:	-9.51(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-chlorophenyl)-1-(3,4-difluorophenyl)prop-2-en-1-one

Drug info:

PubChemData

Smile

CCN(CC)C(=O)COC1=CC=C(C=C1)C(=O)C=CC2=CC=C(C=C2)C(=O)OC

DOS

IR

Vibrations