Geometry & MOs

Info

ID:	1655
PubChem CID:	4832
Reduced:	NO3C22H28 (1)
Stoich.:	AB3C22D28 (1)
Weight, g/mol:	354.206919
ΔH_f, kcal/mol:	-64.91
Dipole, Da:	3.31
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.751561
Charge, e:	1

Chem-info

IUPAC name:

(1-ethyl-1-methylpiperidin-1-ium-3-yl) 2-hydroxy-2,2-diphenylacetate

Drug info:

PubChemData

Smile

CC[N+]1(CCCC(C1)OC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O)C

DOS

IR

Vibrations