Geometry & MOs

Info

ID:	10791
PubChem CID:	107979
Reduced:	ClNO3C25H30 (1)
Stoich.:	ABC3D25E30 (1)
Weight, g/mol:	427.191421
ΔH_f, kcal/mol:	-101.47
Dipole, Da:	13.08
IP(EA), eV:	-8.15(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

spiro[8-azoniabicyclo[3.2.1]octane-8,1'-azolidin-1-ium]-3-yl 2-hydroxy-2,2-diphenylacetate;chloride

Drug info:

PubChemData

Smile

C1CC[N+]2(C1)C3CCC2CC(C3)OC(=O)C(C4=CC=CC=C4)(C5=CC=CC=C5)O.[Cl-]

DOS

IR

Vibrations