Geometry & MOs

Info

ID:	412301
PubChem CID:	135085186
Reduced:	FON2C26H28 (1)
Stoich.:	ABC2D26E28 (1)
Weight, g/mol:	478.16198
ΔH_f, kcal/mol:	5.58
Dipole, Da:	3.83
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.259130
Charge, e:	0

Chem-info

IUPAC name:

(R)-[5-ethenyl-1-[(3-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=C(C=C5)F

DOS

IR

Vibrations