Geometry & MOs

Info

ID:	260622
PubChem CID:	103197847
Reduced:	BrON2C12H21 (1)
Stoich.:	ABC2D12E21 (1)
Weight, g/mol:	268.072703
ΔH_f, kcal/mol:	-60.29
Dipole, Da:	3.98
IP(EA), eV:	-9.17(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(CN1CCCC2C1CNC2=O)CBr

DOS

IR

Vibrations