Geometry & MOs

Info

ID:	411937
PubChem CID:	135084793
Reduced:	BrON2C26H29 (1)
Stoich.:	ABC2D26E29 (1)
Weight, g/mol:	478.16198
ΔH_f, kcal/mol:	33.57
Dipole, Da:	12.63
IP(EA), eV:	-8.06(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations