Geometry & MOs

Info

ID:	43243
PubChem CID:	10320080
Reduced:	ClO6C22H27 (1)
Stoich.:	AB6C22D27 (1)
Weight, g/mol:	342.08574
ΔH_f, kcal/mol:	-258.24
Dipole, Da:	7.97
IP(EA), eV:	-9.94(0.03)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

5-(6-bromohexyl)phenanthridin-5-ium

Drug info:

PubChemData

Smile

C[C@@H]1C[C@H]2[C@@]34COC(O2)(O[C@@]3(CCC[C@@H]4[C@@]15C[C@H](OC5=O)C6=COC=C6)CCl)C

DOS

IR

Vibrations