Geometry & MOs

Info

ID:	183927
PubChem CID:	77090563
Reduced:	SO2N4C14H20 (1)
Stoich.:	AB2C4D14E20 (1)
Weight, g/mol:	313.142641
ΔH_f, kcal/mol:	-46.8
Dipole, Da:	3.74
IP(EA), eV:	-9.23(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-hydroxy-N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CCC1=C(SC(=N1)C)C(=O)N(CCO)CC2=NC=CN2C

DOS

IR

Vibrations