Geometry & MOs

Info

ID:	399559
PubChem CID:	135040928
Reduced:	O2N5C8H11 (1)
Stoich.:	A2B5C8D11 (1)
Weight, g/mol:	189.076293
ΔH_f, kcal/mol:	-46.29
Dipole, Da:	2.09
IP(EA), eV:	-9.28(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(dimethylamino)-2H-triazolo[4,5-d]pyrimidine-5-carbonitrile

Drug info:

PubChemData

Smile

CNC(=O)C1=CC=C(N1)C(=O)N=C(N)N

DOS

IR

Vibrations