Geometry & MOs

Info

ID:	405962
PubChem CID:	135076077
Reduced:	FOH15C17 (1)
Stoich.:	ABC15D17 (1)
Weight, g/mol:	435.92442
ΔH_f, kcal/mol:	-31.16
Dipole, Da:	3.14
IP(EA), eV:	-9.72(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-(3-bromo-2-methylphenyl)-3-(3,5-dichlorophenyl)-4,4,4-trifluorobut-2-en-1-one

Drug info:

PubChemData

Smile

CC/C(=C\C(=O)C1=CC=CC=C1)/C2=CC=C(C=C2)F

DOS

IR

Vibrations