Geometry & MOs

Info

ID:	411950
PubChem CID:	135084806
Reduced:	BrN2O2F3C28H30 (1)
Stoich.:	AB2C2D3E28F30 (1)
Weight, g/mol:	483.225938
ΔH_f, kcal/mol:	-165.83
Dipole, Da:	15.0
IP(EA), eV:	-7.9(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(S)-[5-ethenyl-1-[[4-(trifluoromethyl)phenyl]methyl]-1-azoniabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol

Drug info:

PubChemData

Smile

COC1=CC2=C(C=CN=C2C=C1)[C@@H](C3CC4CC[N+]3(CC4C=C)CC5=CC=C(C=C5)C(F)(F)F)O.[Br-]

DOS

IR

Vibrations