Geometry & MOs

Info

ID:	267008
PubChem CID:	103580431
Reduced:	BrClON2C11H14 (1)
Stoich.:	ABCD2E11F14 (1)
Weight, g/mol:	328.99305
ΔH_f, kcal/mol:	-35.56
Dipole, Da:	2.34
IP(EA), eV:	-8.78(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(CC1CNC2=C(C=C(C=N2)Br)Cl)O

DOS

IR

Vibrations