Geometry & MOs

Info

ID:	203792
PubChem CID:	79872095
Reduced:	ON4C9H18 (1)
Stoich.:	AB4C9D18 (1)
Weight, g/mol:	234.122909
ΔH_f, kcal/mol:	-12.4
Dipole, Da:	3.8
IP(EA), eV:	-8.78(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=NN(C(=N1)N)CCC(C)C

DOS

IR

Vibrations