Geometry & MOs

Info

ID:	231314
PubChem CID:	87573459
Reduced:	NSO2H13C14 (1)
Stoich.:	ABC2D13E14 (1)
Weight, g/mol:	375.179421
ΔH_f, kcal/mol:	-26.72
Dipole, Da:	4.13
IP(EA), eV:	-8.44(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-ethoxypropyl)-3-hydroxy-2-methylpyridin-4-one;2-(3-hydroxy-2-methyl-4-oxopyridin-1-yl)acetonitrile

Drug info:

PubChemData

Smile

CC(=O)SOC1=C(C=C(C=C1)N)C2=CC=CC=C2

DOS

IR

Vibrations