Geometry & MOs

Info

ID:	253559
PubChem CID:	103119243
Reduced:	N2O2C15H16 (1)
Stoich.:	A2B2C15D16 (1)
Weight, g/mol:	310.083268
ΔH_f, kcal/mol:	-28.04
Dipole, Da:	6.23
IP(EA), eV:	-9.09(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-aminoethyl)-1-[2-(4-chlorophenoxy)ethyl]triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C(=N1)C(=O)C3CCCCC3=O

DOS

IR

Vibrations