Geometry & MOs

Info

ID:	266981
PubChem CID:	103580296
Reduced:	BrClON2C10H12 (1)
Stoich.:	ABCD2E10F12 (1)
Weight, g/mol:	345.02435
ΔH_f, kcal/mol:	0.82
Dipole, Da:	1.03
IP(EA), eV:	-9.08(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-(5-bromo-3-chloropyridin-2-yl)pyrrolidin-3-yl]morpholine

Drug info:

PubChemData

Smile

C=CCN(CCO)C1=C(C=C(C=N1)Br)Cl

DOS

IR

Vibrations