Geometry & MOs

Info

ID:	261940
PubChem CID:	103260374
Reduced:	NO3C10H19 (1)
Stoich.:	AB3C10D19 (1)
Weight, g/mol:	257.108565
ΔH_f, kcal/mol:	-136.82
Dipole, Da:	5.93
IP(EA), eV:	-9.9(0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]-5-methylthiophene-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)(CNC(C1CC1)C(=O)O)CO

DOS

IR

Vibrations