Geometry & MOs

Info

ID:	412298
PubChem CID:	135085183
Reduced:	BrFON2C26H28 (1)
Stoich.:	ABCD2E26F28 (1)
Weight, g/mol:	403.218567
ΔH_f, kcal/mol:	-6.95
Dipole, Da:	13.04
IP(EA), eV:	-7.57(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(R)-[5-ethenyl-1-[(3-fluorophenyl)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)F.[Br-]

DOS

IR

Vibrations