Geometry & MOs

Info

ID:	411935
PubChem CID:	135084791
Reduced:	BrON2F3C29H30 (1)
Stoich.:	ABC2D3E29F30 (1)
Weight, g/mol:	479.231023
ΔH_f, kcal/mol:	-54.04
Dipole, Da:	15.55
IP(EA), eV:	-7.81(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

4-[(R)-[5-ethenyl-1-[(2,3,4-trifluorophenyl)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=C(C(=C(C=C3)F)F)F)C4=CC=NC5=CC=CC=C45.[Br-]

DOS

IR

Vibrations