Geometry & MOs

Info

ID:	262127
PubChem CID:	103271944
Reduced:	ON2C5H8 (2)
Stoich.:	AB2C5D8 (2)
Weight, g/mol:	259.106925
ΔH_f, kcal/mol:	-21.37
Dipole, Da:	4.5
IP(EA), eV:	-9.05(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 7-pyridin-2-yl-1,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate

Drug info:

PubChemData

Smile

CCC1C(CN=C2N1NC(=N2)C(=O)OC)C

DOS

IR

Vibrations