Geometry & MOs

Info

ID:	302134
PubChem CID:	124349659
Reduced:	ClN2O3C19H23 (1)
Stoich.:	AB2C3D19E23 (1)
Weight, g/mol:	362.13972
ΔH_f, kcal/mol:	-121.47
Dipole, Da:	2.89
IP(EA), eV:	-8.98(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3S)-1-[(7-chloro-1-methyl-2-oxoquinolin-3-yl)methyl]piperidine-3-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)[C@@H]1CCCN(C1)CC2=CC3=C(C=C(C=C3)Cl)N(C2=O)C

DOS

IR

Vibrations