Geometry & MOs

Info

ID:	340955
PubChem CID:	127263390
Reduced:	O2N5C21H43 (1)
Stoich.:	A2B5C21D43 (1)
Weight, g/mol:	562.14428
ΔH_f, kcal/mol:	-149.48
Dipole, Da:	2.8
IP(EA), eV:	-9.38(0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(S)-[(1S,2R,4S,5S)-5-ethenyl-1-[[4-(trifluoromethyl)phenyl]methyl]-1-azoniabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;bromide

Drug info:

PubChemData

Smile

CCCCCCCCCCCC(=O)N[C@@H](CCCCN=C(N)N)C(=O)NCC

DOS

IR

Vibrations