Geometry & MOs

Info

ID:	412293
PubChem CID:	135085178
Reduced:	BrFON2C29H32 (1)
Stoich.:	ABCD2E29F32 (1)
Weight, g/mol:	443.249867
ΔH_f, kcal/mol:	5.09
Dipole, Da:	10.36
IP(EA), eV:	-8.1(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

4-[(R)-[5-ethenyl-1-[(2-fluorophenyl)methyl]-1-azoniabicyclo[2.2.2]octan-2-yl]-prop-2-enoxymethyl]quinoline

Drug info:

PubChemData

Smile

C=CCO[C@@H](C1CC2CC[N+]1(CC2C=C)CC3=CC=CC=C3F)C4=CC=NC5=CC=CC=C45.[Br-]

DOS

IR

Vibrations