Geometry & MOs

Info

ID:	258940
PubChem CID:	103157482
Reduced:	ON5C9H13 (1)
Stoich.:	AB5C9D13 (1)
Weight, g/mol:	235.14331
ΔH_f, kcal/mol:	41.3
Dipole, Da:	5.32
IP(EA), eV:	-9.58(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)-2-methoxypropan-1-amine

Drug info:

PubChemData

Smile

COC(CC1=NN=C2N1C=CN=C2)CN

DOS

IR

Vibrations