Geometry & MOs

Info

ID:	371898
PubChem CID:	131278040
Reduced:	OF2N2C10H10 (1)
Stoich.:	AB2C2D10E10 (1)
Weight, g/mol:	204.075959
ΔH_f, kcal/mol:	-82.22
Dipole, Da:	6.11
IP(EA), eV:	-9.34(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-amino-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetonitrile

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1[C@H](CC#N)N)F)F

DOS

IR

Vibrations