Geometry & MOs

Info

ID:	253975
PubChem CID:	103121947
Reduced:	ClON4H5C6 (1)
Stoich.:	ABC4D5E6 (1)
Weight, g/mol:	244.117155
ΔH_f, kcal/mol:	74.78
Dipole, Da:	6.41
IP(EA), eV:	-9.88(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(aminomethyl)-1-[2-(2-methoxyethoxy)ethyl]triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C2=NC(=NO2)Cl

DOS

IR

Vibrations