Geometry & MOs

Info

ID:	154932
PubChem CID:	56314483
Reduced:	FN3O3H26C27 (1)
Stoich.:	AB3C3D26E27 (1)
Weight, g/mol:	454.201634
ΔH_f, kcal/mol:	-55.62
Dipole, Da:	6.14
IP(EA), eV:	-8.73(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1COC2=C1C=C(C=C2)CN3CCN(CC3)C(=O)/C=C/C4=CC(=C(C=C4)OC5=CN=CC=C5)F

DOS

IR

Vibrations