Geometry & MOs

Info

ID:	154070
PubChem CID:	56313457
Reduced:	O2N5F6C21H23 (1)
Stoich.:	A2B5C6D21E23 (1)
Weight, g/mol:	424.191069
ΔH_f, kcal/mol:	-348.11
Dipole, Da:	4.36
IP(EA), eV:	-9.32(-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]-N-prop-2-enylacetamide

Drug info:

PubChemData

Smile

CC(C)N1C(=C(C=N1)C(=O)N2CCN(CC2)CC(=O)NC3=CC=CC=C3C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations