Geometry & MOs

Info

ID:	388333
PubChem CID:	134988823
Reduced:	ClOBr2F2C7H9 (1)
Stoich.:	ABC2D2E7F9 (1)
Weight, g/mol:	223.110947
ΔH_f, kcal/mol:	-124.83
Dipole, Da:	3.02
IP(EA), eV:	-10.63(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-pyridin-3-yl-2,3-dihydropyrrol-4-yl)pyridine

Drug info:

PubChemData

Smile

CCCCO[C@]1([C@@](C1(Br)Br)(F)Cl)F

DOS

IR

Vibrations