Geometry & MOs

Info

ID:	254262
PubChem CID:	103123802
Reduced:	SN6C7H8 (1)
Stoich.:	AB6C7D8 (1)
Weight, g/mol:	228.075959
ΔH_f, kcal/mol:	106.75
Dipole, Da:	11.44
IP(EA), eV:	-8.2(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-6-pyrazolo[1,5-a]pyridin-3-yl-1H-1,3,5-triazin-4-one

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C2=NC(=S)N=C(N2)N

DOS

IR

Vibrations