Geometry & MOs

Info

ID:	141405
PubChem CID:	52874132
Reduced:	N3O4C19H25 (1)
Stoich.:	A3B4C19D25 (1)
Weight, g/mol:	417.15811
ΔH_f, kcal/mol:	-89.99
Dipole, Da:	2.78
IP(EA), eV:	-8.76(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[4-(2-chlorophenoxy)phenyl]-2-[(2R)-2-(1,3-dioxolan-2-yl)piperidin-1-ium-1-yl]acetamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C2=NOC(=N2)CN3CCCC[C@H]3C4OCCO4

DOS

IR

Vibrations