Geometry & MOs

Info

ID:	161478
PubChem CID:	57391771
Reduced:	N3O3F7H24C25 (1)
Stoich.:	A3B3C7D24E25 (1)
Weight, g/mol:	453.257575
ΔH_f, kcal/mol:	-462.16
Dipole, Da:	3.34
IP(EA), eV:	-9.35(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(3R)-1-(2-phenylethyl)-1-azoniabicyclo[2.2.2]octan-3-yl] (2R)-2-piperidin-1-yl-2-thiophen-2-ylpropanoate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)[C@H]2CN(CC[C@@H]2C(=O)N(C)CC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C(=O)C(=O)N

DOS

IR

Vibrations