Geometry & MOs

Info

ID:	412285
PubChem CID:	135085170
Reduced:	BrOF2N2C26H27 (1)
Stoich.:	ABC2D2E26F27 (1)
Weight, g/mol:	421.209145
ΔH_f, kcal/mol:	-58.12
Dipole, Da:	12.09
IP(EA), eV:	-7.96(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(R)-[1-[(2,5-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(=C5)F)F.[Br-]

DOS

IR

Vibrations