Geometry & MOs

Info

ID:	167209
PubChem CID:	74793230
Reduced:	N2O4C25H38 (1)
Stoich.:	A2B4C25D38 (1)
Weight, g/mol:	413.244033
ΔH_f, kcal/mol:	-103.73
Dipole, Da:	9.33
IP(EA), eV:	-6.47(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-(2-methoxyethyl)-3-[1-(1-phenoxypropan-2-yl)piperidin-1-ium-4-yl]oxybenzamide

Drug info:

PubChemData

Smile

C[NH+](CC1=CC=CC=C1)CC(COC2=C(C=CC(=C2)C[NH2+]CC3CCOCC3)OC)O

DOS

IR

Vibrations