Geometry & MOs

Info

ID:	411953
PubChem CID:	135084809
Reduced:	ClN2O2C33H33 (1)
Stoich.:	AB2C2D33E33 (1)
Weight, g/mol:	536.259441
ΔH_f, kcal/mol:	15.03
Dipole, Da:	8.33
IP(EA), eV:	-8.42(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(R)-[1-(anthracen-9-ylmethyl)-5-ethenyl-1-azoniabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol;methane;chloride

Drug info:

PubChemData

Smile

C=CC1C[N+]2(CCC1CC2[C@@H](C3=CC=NC4=CC=CC=C34)OC(=O)C5=CC=CC=C5)CC6=CC=CC=C6.[Cl-]

DOS

IR

Vibrations