Geometry & MOs

Info

ID:	412302
PubChem CID:	135085187
Reduced:	BrON2C27H31 (1)
Stoich.:	ABC2D27E31 (1)
Weight, g/mol:	399.243639
ΔH_f, kcal/mol:	23.59
Dipole, Da:	16.72
IP(EA), eV:	-8.3(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(R)-[5-ethenyl-1-[(3-methylphenyl)methyl]-1-azoniabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C[N+]23CCC(CC2[C@@H](C4=CC=NC5=CC=CC=C45)O)C(C3)C=C.[Br-]

DOS

IR

Vibrations