Geometry & MOs

Info

ID:	203793
PubChem CID:	79872261
Reduced:	ON6C10H14 (1)
Stoich.:	AB6C10D14 (1)
Weight, g/mol:	220.107259
ΔH_f, kcal/mol:	46.12
Dipole, Da:	4.8
IP(EA), eV:	-8.72(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,6-dimethylpyrimidin-4-yl)-5-methoxy-1,2,4-triazol-3-amine

Drug info:

PubChemData

Smile

CCOC1=NN(C(=N1)N)C2=NC(=CC(=N2)C)C

DOS

IR

Vibrations