Geometry & MOs

Info

ID:	411944
PubChem CID:	135084800
Reduced:	BrN3O3C26H28 (1)
Stoich.:	AB3C3D26E28 (1)
Weight, g/mol:	430.213067
ΔH_f, kcal/mol:	35.32
Dipole, Da:	9.08
IP(EA), eV:	-7.94(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(R)-[5-ethenyl-1-[(2-nitrophenyl)methyl]-1-azoniabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol

Drug info:

PubChemData

Smile

C=CC1C[N+]2(CCC1CC2[C@@H](C3=CC=NC4=CC=CC=C34)O)CC5=CC=CC=C5[N+](=O)[O-].[Br-]

DOS

IR

Vibrations