Geometry & MOs

Info

ID:	172081
PubChem CID:	75464225
Reduced:	OF2N4C13H14 (1)
Stoich.:	AB2C4D13E14 (1)
Weight, g/mol:	423.104892
ΔH_f, kcal/mol:	-42.81
Dipole, Da:	3.39
IP(EA), eV:	-9.34(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-(2-chloro-4-morpholin-4-ylphenyl)-3-[3-(difluoromethoxy)-4-methoxyphenyl]prop-2-en-1-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C/C(=N\OCC2=NC=CN2C(F)F)/N

DOS

IR

Vibrations