Geometry & MOs

Info

ID:	405963
PubChem CID:	135076078
Reduced:	BrOCl2F3H10C17 (1)
Stoich.:	ABC2D3E10F17 (1)
Weight, g/mol:	358.013905
ΔH_f, kcal/mol:	-151.85
Dipole, Da:	2.64
IP(EA), eV:	-9.88(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3,5-dichlorophenyl)-4,4,4-trifluoro-1-(2-methylphenyl)but-2-en-1-one

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1Br)C(=O)/C=C(\C2=CC(=CC(=C2)Cl)Cl)/C(F)(F)F

DOS

IR

Vibrations