Geometry & MOs

Info

ID:	6453
PubChem CID:	68640
Reduced:	NO3C21H26 (1)
Stoich.:	AB3C21D26 (1)
Weight, g/mol:	340.191269
ΔH_f, kcal/mol:	-58.82
Dipole, Da:	3.06
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.750718
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations