Geometry & MOs

Info

ID:	267003
PubChem CID:	103580406
Reduced:	BrClON2C12H16 (1)
Stoich.:	ABCD2E12F16 (1)
Weight, g/mol:	315.9978
ΔH_f, kcal/mol:	-35.44
Dipole, Da:	4.5
IP(EA), eV:	-8.62(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-bromo-3-chloropyridin-2-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol

Drug info:

PubChemData

Smile

C1CCOC(C1)CCNC2=C(C=C(C=N2)Br)Cl

DOS

IR

Vibrations