Geometry & MOs

Info

ID:	194675
PubChem CID:	78573817
Reduced:	ClOF2H9C15 (1)
Stoich.:	ABC2D9E15 (1)
Weight, g/mol:	312.057356
ΔH_f, kcal/mol:	-69.69
Dipole, Da:	5.46
IP(EA), eV:	-9.78(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-difluorophenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-one

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C=CC(=O)C2=CC(=C(C=C2)F)F)Cl

DOS

IR

Vibrations