Geometry & MOs

Info

ID:	326836
PubChem CID:	126688337
Reduced:	F2N2O2H11C12 (2)
Stoich.:	A2B2C2D11E12 (2)
Weight, g/mol:	300.113487
ΔH_f, kcal/mol:	-273.65
Dipole, Da:	3.37
IP(EA), eV:	-8.83(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-(cyclopropylmethylamino)-5-fluoropyrimidin-2-yl]-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one

Drug info:

PubChemData

Smile

C1CC1(CN2C3=C(C=C(C=C3)N4CCOCC4=O)N=C2NC(=O)C5=CC(=CC(=C5)F)C(F)(F)F)CO

DOS

IR

Vibrations