Geometry & MOs

Info

ID:	153297
PubChem CID:	56312476
Reduced:	O2F3N5C22H22 (1)
Stoich.:	A2B3C5D22E22 (1)
Weight, g/mol:	425.21147
ΔH_f, kcal/mol:	-137.92
Dipole, Da:	3.48
IP(EA), eV:	-9.1(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)-N-[1-(3-methylbutanoyl)piperidin-4-yl]prop-2-enamide

Drug info:

PubChemData

Smile

C1COCCN1C(CNC(=O)C2=CC=C(C=C2)N3C=NC=N3)C4=CC=C(C=C4)C(F)(F)F

DOS

IR

Vibrations