Geometry & MOs

Info

ID:	259762
PubChem CID:	103173857
Reduced:	N2O2C6H7 (2)
Stoich.:	A2B2C6D7 (2)
Weight, g/mol:	277.153875
ΔH_f, kcal/mol:	-77.92
Dipole, Da:	9.77
IP(EA), eV:	-9.39(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(N=NN1CC2=NC=CC(=C2OC)OC)C(=O)O

DOS

IR

Vibrations