Geometry & MOs

Info

ID:	259763
PubChem CID:	103173860
Reduced:	O2N5C13H19 (1)
Stoich.:	A2B5C13D19 (1)
Weight, g/mol:	263.138225
ΔH_f, kcal/mol:	4.6
Dipole, Da:	8.69
IP(EA), eV:	-9.14(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[(3,4-dimethoxypyridin-2-yl)methyl]triazol-4-yl]ethanamine

Drug info:

PubChemData

Smile

CC(C)(C1=CN(N=N1)CC2=NC=CC(=C2OC)OC)N

DOS

IR

Vibrations