Geometry & MOs

Info

ID:	261829
PubChem CID:	103253655
Reduced:	NO4C16H23 (1)
Stoich.:	AB4C16D23 (1)
Weight, g/mol:	230.072513
ΔH_f, kcal/mol:	-172.23
Dipole, Da:	8.87
IP(EA), eV:	-9.51(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(3-hydroxy-2-methylpropyl)amino]methyl]-1,3-thiazole-2-carboxylic acid

Drug info:

PubChemData

Smile

C1CCC(CC1)(CNCCOC2=CC=CC=C2C(=O)O)O

DOS

IR

Vibrations