Geometry & MOs

Info

ID:	154206
PubChem CID:	56313611
Reduced:	FO2N4C28H31 (1)
Stoich.:	AB2C4D28E31 (1)
Weight, g/mol:	438.114648
ΔH_f, kcal/mol:	-26.82
Dipole, Da:	6.09
IP(EA), eV:	-8.38(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-[2-(4-chlorophenyl)morpholin-4-yl]-3-(3-fluoro-4-pyridin-3-yloxyphenyl)prop-2-en-1-one

Drug info:

PubChemData

Smile

CCN1CCN(CC1)CC2=CC=C(C=C2)CNC(=O)/C=C/C3=CC(=C(C=C3)OC4=CN=CC=C4)F

DOS

IR

Vibrations