Geometry & MOs

Info

ID:	90061
PubChem CID:	49966086
Reduced:	OSF2N2C20H20 (1)
Stoich.:	ABC2D2E20F20 (1)
Weight, g/mol:	274.080536
ΔH_f, kcal/mol:	-79.37
Dipole, Da:	6.38
IP(EA), eV:	-8.83(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(2,6-difluorophenyl)-1-(2-methoxyphenyl)prop-2-en-1-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CCSC2=NC3=C(CCCC3)C(=C2C#N)C(F)F

DOS

IR

Vibrations