Geometry & MOs

Info

ID:	253523
PubChem CID:	103118999
Reduced:	SN2O2C14H14 (1)
Stoich.:	AB2C2D14E14 (1)
Weight, g/mol:	228.12224
ΔH_f, kcal/mol:	-4.62
Dipole, Da:	7.84
IP(EA), eV:	-8.49(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-aminoethyl)-1-(2-hydroxy-2-methylpropyl)triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations