Geometry & MOs

Info

ID:	412287
PubChem CID:	135085172
Reduced:	BrOF2N2C26H27 (1)
Stoich.:	ABC2D2E26F27 (1)
Weight, g/mol:	421.209145
ΔH_f, kcal/mol:	-36.02
Dipole, Da:	21.44
IP(EA), eV:	-6.68(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(R)-[1-[(2,6-difluorophenyl)methyl]-5-ethenyl-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=C(C=CC=C5F)F.[Br-]

DOS

IR

Vibrations