Geometry & MOs

Info

ID:	154443
PubChem CID:	56313883
Reduced:	F3N4O5C22H23 (1)
Stoich.:	A3B4C5D22E23 (1)
Weight, g/mol:	427.190734
ΔH_f, kcal/mol:	-264.73
Dipole, Da:	8.45
IP(EA), eV:	-8.58(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methylpropyl 4-[(E)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)prop-2-enoyl]piperazine-1-carboxylate

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)C2=NC(=NN2)NC(=O)CCC3=CC(=C(C=C3)OCC(F)(F)F)OC)OC

DOS

IR

Vibrations