Geometry & MOs

Info

ID:	253959
PubChem CID:	103121841
Reduced:	ClO3N4C12H13 (1)
Stoich.:	AB3C4D12E13 (1)
Weight, g/mol:	290.13789
ΔH_f, kcal/mol:	-53.23
Dipole, Da:	5.4
IP(EA), eV:	-9.46(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Cl)OCCN2C(=C(N=N2)C(=O)O)CN

DOS

IR

Vibrations