Geometry & MOs

Info

ID:	285297
PubChem CID:	104098976
Reduced:	ON2C6H8 (2)
Stoich.:	AB2C6D8 (2)
Weight, g/mol:	262.10659
ΔH_f, kcal/mol:	4.71
Dipole, Da:	3.9
IP(EA), eV:	-8.52(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[2-(triazol-1-yl)ethylamino]methyl]-1,3-benzodioxol-5-ol

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1O)CNCCN2C=CN=N2

DOS

IR

Vibrations