Geometry & MOs

Info

ID:	127526
PubChem CID:	51004908
Reduced:	SO5C16H16 (1)
Stoich.:	AB5C16D16 (1)
Weight, g/mol:	285.196688
ΔH_f, kcal/mol:	-137.53
Dipole, Da:	2.22
IP(EA), eV:	-8.97(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[(1R,5R)-8-methyl-8-azoniabicyclo[3.2.1]oct-2-en-3-yl]-N-phenylbutanamide

Drug info:

PubChemData

Smile

C[C@]12C3=CC=CC=C3[C@@](O1)(C(=C2C(=O)OC)C(=O)OC)SC

DOS

IR

Vibrations