Geometry & MOs

Info

ID:	153664
PubChem CID:	56312952
Reduced:	FO2N5H20C24 (1)
Stoich.:	AB2C5D20E24 (1)
Weight, g/mol:	438.206719
ΔH_f, kcal/mol:	34.36
Dipole, Da:	4.7
IP(EA), eV:	-9.44(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-2-[4-[(E)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)prop-2-enoyl]piperazin-1-yl]propanamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CNC(=O)/C=C/C2=CC(=C(C=C2)OC3=CN=CC=C3)F)CN4C=NC=N4

DOS

IR

Vibrations