Geometry & MOs

Info

ID:	153658
PubChem CID:	56312945
Reduced:	O2N3F4C18H21 (1)
Stoich.:	A2B3C4D18E21 (1)
Weight, g/mol:	440.185983
ΔH_f, kcal/mol:	-245.11
Dipole, Da:	6.72
IP(EA), eV:	-8.94(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(E)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)prop-2-enoyl]piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide

Drug info:

PubChemData

Smile

CC(C)N1C(=C(C=N1)C(=O)NCCCCOC2=CC=C(C=C2)F)C(F)(F)F

DOS

IR

Vibrations