Geometry & MOs

Info

ID:	59869
PubChem CID:	24900731
Reduced:	FOSN6H17C23 (1)
Stoich.:	ABCD6E17F23 (1)
Weight, g/mol:	411.14091
ΔH_f, kcal/mol:	84.79
Dipole, Da:	2.33
IP(EA), eV:	-8.93(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(1R,5R)-8-methyl-8-propan-2-yl-8-azoniabicyclo[3.2.1]octan-3-yl]oxy]-3-oxo-2-phenylpropan-1-olate;hydrobromide

Drug info:

PubChemData

Smile

CC1=CC2=C(C=CC=N2)C=C1SC3=NN=C4N3N=C(C=C4)C5=CC(=C(C=C5)C(=O)NC)F

DOS

IR

Vibrations