Geometry & MOs

Info

ID:	412127
PubChem CID:	135085001
Reduced:	ClCuPC12H27 (1)
Stoich.:	ABCD12E27 (1)
Weight, g/mol:	747.224477
ΔH_f, kcal/mol:	-53.21
Dipole, Da:	5.66
IP(EA), eV:	-8.22(0.44)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

4-[(S)-[3,5-bis(trifluoromethyl)phenyl]methoxy-[1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-ethenyl-1-azoniabicyclo[2.2.2]octan-2-yl]methyl]quinoline

Drug info:

PubChemData

Smile

CCCCP(CCCC)CCCC.Cl[Cu]

DOS

IR

Vibrations