Geometry & MOs

Info

ID:	153560
PubChem CID:	56312808
Reduced:	OF3N4C22H29 (1)
Stoich.:	AB3C4D22E29 (1)
Weight, g/mol:	383.200905
ΔH_f, kcal/mol:	-161.87
Dipole, Da:	4.72
IP(EA), eV:	-8.71(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)CN2CCN(CC2)C(=O)C3=C(N(N=C3)C(C)C)C(F)(F)F

DOS

IR

Vibrations