Geometry & MOs

Info

ID:	260618
PubChem CID:	103197668
Reduced:	SN2O4C11H18 (1)
Stoich.:	AB2C4D11E18 (1)
Weight, g/mol:	212.152478
ΔH_f, kcal/mol:	-169.59
Dipole, Da:	3.61
IP(EA), eV:	-9.75(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-hydroxybutyl)-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one

Drug info:

PubChemData

Smile

C1CC2C(CNC2=O)N(C1)C3CS(=O)(=O)CC3O

DOS

IR

Vibrations