Geometry & MOs

Info

ID:	253538
PubChem CID:	103119090
Reduced:	FCl2N2O2H9C13 (1)
Stoich.:	AB2C2D2E9F13 (1)
Weight, g/mol:	297.143704
ΔH_f, kcal/mol:	-64.24
Dipole, Da:	4.4
IP(EA), eV:	-9.88(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-aminoethyl)-1-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C(=O)CC(=O)C2=C(C=CC(=C2Cl)F)Cl

DOS

IR

Vibrations