Geometry & MOs

Info

ID:	372227
PubChem CID:	131294464
Reduced:	ClN3C12H12 (1)
Stoich.:	AB3C12D12 (1)
Weight, g/mol:	189.076293
ΔH_f, kcal/mol:	54.47
Dipole, Da:	3.33
IP(EA), eV:	-8.48(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-methyltriazolo[4,5-d]pyrimidin-7-yl)amino]acetonitrile

Drug info:

PubChemData

Smile

CN1C=C(C2=C1C=CC=C2Cl)CC(C#N)N

DOS

IR

Vibrations