Geometry & MOs

Info

ID:	412631
PubChem CID:	135085528
Reduced:	NO2C18H35 (1)
Stoich.:	AB2C18D35 (1)
Weight, g/mol:	684.348257
ΔH_f, kcal/mol:	-156.53
Dipole, Da:	2.58
IP(EA), eV:	-9.46(1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(S)-[1-(anthracen-9-ylmethyl)-5-ethyl-1-azoniabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethyl] adamantane-1-carboxylate;chloride

Drug info:

PubChemData

Smile

CCCCCCCCCCC(CC)OC(=O)[C@@H]1CCCN1

DOS

IR

Vibrations