Geometry & MOs

Info

ID:	200421
PubChem CID:	79386183
Reduced:	SN2O2C13H18 (1)
Stoich.:	AB2C2D13E18 (1)
Weight, g/mol:	262.131742
ΔH_f, kcal/mol:	-26.85
Dipole, Da:	3.41
IP(EA), eV:	-9.09(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxy-2-methylpropyl)-3-(3-hydroxyprop-1-ynyl)-N-methylpyridine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)(CN(C)C(=O)C1=C(C=CS1)C#CCN)O

DOS

IR

Vibrations