Geometry & MOs

Info

ID:	411926
PubChem CID:	135084782
Reduced:	ON3C25H28 (1)
Stoich.:	AB3C25D28 (1)
Weight, g/mol:	518.11806
ΔH_f, kcal/mol:	65.07
Dipole, Da:	2.85
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.204649
Charge, e:	0

Chem-info

IUPAC name:

(R)-[5-ethenyl-1-[(2,3,4-trifluorophenyl)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=N5

DOS

IR

Vibrations