Geometry & MOs

Info

ID:	234597
PubChem CID:	92303136
Reduced:	O3C24H34 (1)
Stoich.:	A3B24C34 (1)
Weight, g/mol:	427.274939
ΔH_f, kcal/mol:	-157.34
Dipole, Da:	6.61
IP(EA), eV:	-9.84(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[(2R)-1-benzyl-1-azoniabicyclo[2.2.2]octan-2-yl]-N-butylnaphthalene-1-carboxamide

Drug info:

PubChemData

Smile

CCCCC[C@H]1CC[C@H](C1)C(=O)C2CCC(CC2)C3=CC=C(C=C3)C(=O)O

DOS

IR

Vibrations