Geometry & MOs

Info

ID:	259761
PubChem CID:	103173828
Reduced:	N2O3C14H20 (1)
Stoich.:	A2B3C14D20 (1)
Weight, g/mol:	278.101505
ΔH_f, kcal/mol:	-60.6
Dipole, Da:	4.12
IP(EA), eV:	-9.06(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3,4-dimethoxypyridin-2-yl)methyl]-5-methyltriazole-4-carboxylic acid

Drug info:

PubChemData

Smile

COC1=C(C(=NC=C1)CN2CC(C2)(C3CC3)O)OC

DOS

IR

Vibrations