Geometry & MOs

Info

ID:	392006
PubChem CID:	135011887
Reduced:	OC7H12 (1)
Stoich.:	AB7C12 (1)
Weight, g/mol:	747.224477
ΔH_f, kcal/mol:	-20.51
Dipole, Da:	1.5
IP(EA), eV:	-9.31(0.9)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)[C@@]1(C=CO1)C

DOS

IR

Vibrations