Geometry & MOs

Info

ID:	262783
PubChem CID:	103317043
Reduced:	OSN4C11H12 (1)
Stoich.:	ABC4D11E12 (1)
Weight, g/mol:	215.117095
ΔH_f, kcal/mol:	39.89
Dipole, Da:	5.13
IP(EA), eV:	-8.9(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN=C2C(=CNN2C1C3=CC=CS3)C(=O)N

DOS

IR

Vibrations