Geometry & MOs

Info

ID:	54478
PubChem CID:	17388746
Reduced:	O5C26H44 (1)
Stoich.:	A5B26C44 (1)
Weight, g/mol:	380.14633
ΔH_f, kcal/mol:	-304.74
Dipole, Da:	3.27
IP(EA), eV:	-10.02(0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-butyl-N-methyl-N-phenyl-1-azoniabicyclo[2.2.2]octane-2-carboxamide;bromide

Drug info:

PubChemData

Smile

CCOC(=O)CCC(C)C1CCC2C1([C@H](CC3C2[C@@H](CC4C3(CC[C@H](C4)O)C)O)O)C

DOS

IR

Vibrations