Geometry & MOs

Info

ID:	368317
PubChem CID:	127327910
Reduced:	SN3O3C16H27 (1)
Stoich.:	AB3C3D16E27 (1)
Weight, g/mol:	345.205242
ΔH_f, kcal/mol:	-156.85
Dipole, Da:	2.34
IP(EA), eV:	-8.79(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)CC(CNC(=O)CN2C(=C(SC2=O)C)C)O

DOS

IR

Vibrations