Geometry & MOs

Info

ID:	411832
PubChem CID:	135084677
Reduced:	OPPdI2N3C29H34 (1)
Stoich.:	ABCD2E3F29G34 (1)
Weight, g/mol:	435.244781
ΔH_f, kcal/mol:	170.13
Dipole, Da:	6.75
IP(EA), eV:	-7.32(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(R)-[5-ethyl-1-[(2-fluorophenyl)methyl]-1-azoniabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol

Drug info:

PubChemData

Smile

CC(C)N1[CH-]N(C=C1)C(=O)N2CCCC2.C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.[Pd](I)I

DOS

IR

Vibrations