Geometry & MOs

Info

ID:	326791
PubChem CID:	126688208
Reduced:	FON6H9C11 (1)
Stoich.:	ABC6D9E11 (1)
Weight, g/mol:	358.118967
ΔH_f, kcal/mol:	22.8
Dipole, Da:	3.41
IP(EA), eV:	-8.86(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclopropyl-3-[[5-fluoro-2-(3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrimidin-4-yl]amino]propanoic acid

Drug info:

PubChemData

Smile

CNC1=NC(=NC=C1F)C2=CN3C(=NNC3=O)C=C2

DOS

IR

Vibrations