Geometry & MOs

Info

ID:	253517
PubChem CID:	103118956
Reduced:	N2O3C16H18 (1)
Stoich.:	A2B3C16D18 (1)
Weight, g/mol:	283.128054
ΔH_f, kcal/mol:	-56.91
Dipole, Da:	5.02
IP(EA), eV:	-8.97(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-aminoethyl)-1-(2-morpholin-4-yl-2-oxoethyl)triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CCCOC1=CC=C(C=C1)C(=O)CC(=O)C2=NN(C=C2)C

DOS

IR

Vibrations