Geometry & MOs

Info

ID:	154440
PubChem CID:	56313879
Reduced:	O3N5C20H25 (1)
Stoich.:	A3B5C20D25 (1)
Weight, g/mol:	441.206385
ΔH_f, kcal/mol:	-43.73
Dipole, Da:	2.84
IP(EA), eV:	-8.52(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)C(C)C(=O)NC2=CC3=C(C=C2)N=C(N3)CN4CCOCC4

DOS

IR

Vibrations