Geometry & MOs

Info

ID:	172532
PubChem CID:	75522537
Reduced:	F2O2N5H13C15 (1)
Stoich.:	A2B2C5D13E15 (1)
Weight, g/mol:	235.086938
ΔH_f, kcal/mol:	-70.29
Dipole, Da:	4.39
IP(EA), eV:	-9.04(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-prop-2-enylurea

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CNC(=O)NC2=NN3C=C(C=CC3=N2)F)F

DOS

IR

Vibrations