Geometry & MOs

Info

ID:	179033
PubChem CID:	76424300
Reduced:	N3O3C19H23 (1)
Stoich.:	A3B3C19D23 (1)
Weight, g/mol:	336.087685
ΔH_f, kcal/mol:	-75.32
Dipole, Da:	4.52
IP(EA), eV:	-9.24(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-chloro-3-[3-hydroxy-4-(hydroxymethyl)piperidine-1-carbonyl]-3H-quinolin-4-one

Drug info:

PubChemData

Smile

CC1=C(N=CC=C1)CNC2CN(CC2O)C(=O)C3=CC=C(C=C3)OC

DOS

IR

Vibrations