Geometry & MOs

Info

ID:	6452
PubChem CID:	68639
Reduced:	BrNO3C21H26 (1)
Stoich.:	ABC3D21E26 (1)
Weight, g/mol:	419.10961
ΔH_f, kcal/mol:	-89.68
Dipole, Da:	14.16
IP(EA), eV:	-7.79(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1,1-dimethylpiperidin-1-ium-4-yl) 2-hydroxy-2,2-diphenylacetate;bromide

Drug info:

PubChemData

Smile

C[N+]1(CCC(CC1)OC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O)C.[Br-]

DOS

IR

Vibrations