Geometry & MOs

Info

ID:	154506
PubChem CID:	56313960
Reduced:	BrFN2O2H18C22 (1)
Stoich.:	ABC2D2E18F22 (1)
Weight, g/mol:	443.175753
ΔH_f, kcal/mol:	-17.48
Dipole, Da:	3.87
IP(EA), eV:	-9.33(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]prop-2-en-1-one

Drug info:

PubChemData

Smile

CN(CC1=CC=C(C=C1)Br)C(=O)/C=C/C2=CC(=C(C=C2)OC3=CN=CC=C3)F

DOS

IR

Vibrations