Geometry & MOs

Info

ID:	412281
PubChem CID:	135085166
Reduced:	OBr2N2C26H28 (1)
Stoich.:	AB2C2D26E28 (1)
Weight, g/mol:	463.1385
ΔH_f, kcal/mol:	36.79
Dipole, Da:	13.36
IP(EA), eV:	-8.71(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(S)-[1-[(3-bromophenyl)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=CC(=CC=C5)Br.[Br-]

DOS

IR

Vibrations