Geometry & MOs

Info

ID:	260578
PubChem CID:	103196091
Reduced:	OSN3C11H19 (1)
Stoich.:	ABC3D11E19 (1)
Weight, g/mol:	325.04259
ΔH_f, kcal/mol:	-37.4
Dipole, Da:	5.72
IP(EA), eV:	-8.85(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(CC(=S)N)N1CCCC2C1CNC2=O

DOS

IR

Vibrations