Geometry & MOs

Info

ID:	153771
PubChem CID:	56313082
Reduced:	F3N3O3C22H24 (1)
Stoich.:	A3B3C3D22E24 (1)
Weight, g/mol:	476.185983
ΔH_f, kcal/mol:	-228.56
Dipole, Da:	6.29
IP(EA), eV:	-8.77(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 6-[4-[(E)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)prop-2-enoyl]piperazin-1-yl]pyridine-3-carboxylate

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)CCC(=O)NCCCC2=NC3=CC=CC=C3N2)OCC(F)(F)F

DOS

IR

Vibrations