Geometry & MOs

Info

ID:	200420
PubChem CID:	79386093
Reduced:	ClON3C9H14 (1)
Stoich.:	ABC3D9E14 (1)
Weight, g/mol:	266.108899
ΔH_f, kcal/mol:	-30.51
Dipole, Da:	5.46
IP(EA), eV:	-9.08(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-aminoprop-1-ynyl)-N-(2-hydroxy-2-methylpropyl)-N-methylthiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)(CN(C)C1=CC(=NC=N1)Cl)O

DOS

IR

Vibrations