Geometry & MOs

Info

ID:	369964
PubChem CID:	127336955
Reduced:	N2O3C15H22 (1)
Stoich.:	A2B3C15D22 (1)
Weight, g/mol:	316.142307
ΔH_f, kcal/mol:	-126.02
Dipole, Da:	4.22
IP(EA), eV:	-9.85(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-hydroxy-2-(oxan-4-yl)ethyl]-4-oxo-1H-quinoline-3-carboxamide

Drug info:

PubChemData

Smile

C1COCCC1C(CNC(=O)CCC2=CC=NC=C2)O

DOS

IR

Vibrations