Geometry & MOs

Info

ID:	287589
PubChem CID:	104247834
Reduced:	NSCl2O2H11C14 (1)
Stoich.:	ABC2D2E11F14 (1)
Weight, g/mol:	221.141579
ΔH_f, kcal/mol:	-37.01
Dipole, Da:	2.67
IP(EA), eV:	-8.78(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-hydroxy-3-methylbutyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one

Drug info:

PubChemData

Smile

C1CC2=C(C1)N(C(=O)C=C2)CC(=O)C3=C(SC(=C3)Cl)Cl

DOS

IR

Vibrations