Geometry & MOs

Info

ID:	153588
PubChem CID:	56312843
Reduced:	FO2N4C25H25 (1)
Stoich.:	AB2C4D25E25 (1)
Weight, g/mol:	447.19582
ΔH_f, kcal/mol:	-10.99
Dipole, Da:	2.23
IP(EA), eV:	-8.5(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]prop-2-enamide

Drug info:

PubChemData

Smile

C1CN(CCC1NC(=O)/C=C/C2=CC(=C(C=C2)OC3=CN=CC=C3)F)CC4=CC=CC=N4

DOS

IR

Vibrations