Geometry & MOs

Info

ID:	154524
PubChem CID:	56313981
Reduced:	OF3N5C18H22 (1)
Stoich.:	AB3C5D18E22 (1)
Weight, g/mol:	499.201968
ΔH_f, kcal/mol:	-134.46
Dipole, Da:	6.28
IP(EA), eV:	-8.97(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)-1-[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]prop-2-en-1-one

Drug info:

PubChemData

Smile

CC(C)N1C(=C(C=N1)C(=O)N2CCN(CC2)CC3=CN=CC=C3)C(F)(F)F

DOS

IR

Vibrations