Geometry & MOs

Info

ID:	154197
PubChem CID:	56313602
Reduced:	ClN2F3O4C24H24 (1)
Stoich.:	AB2C3D4E24F24 (1)
Weight, g/mol:	437.186318
ΔH_f, kcal/mol:	-269.95
Dipole, Da:	5.79
IP(EA), eV:	-8.74(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]prop-2-enamide

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)CCC(=O)N2CCC(CC2)C3=NC4=C(O3)C=CC(=C4)Cl)OCC(F)(F)F

DOS

IR

Vibrations