Geometry & MOs

Info

ID:	253535
PubChem CID:	103119070
Reduced:	O2N3H11C12 (1)
Stoich.:	A2B3C11D12 (1)
Weight, g/mol:	290.13789
ΔH_f, kcal/mol:	8.1
Dipole, Da:	6.46
IP(EA), eV:	-9.94(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-aminoethyl)-1-[2-(3-methylphenoxy)ethyl]triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C(=O)CC(=O)C2=CN=CC=C2

DOS

IR

Vibrations