Geometry & MOs

Info

ID:	140599
PubChem CID:	52728857
Reduced:	N2O3C22H30 (1)
Stoich.:	A2B3C22D30 (1)
Weight, g/mol:	360.265102
ΔH_f, kcal/mol:	-95.88
Dipole, Da:	6.54
IP(EA), eV:	-8.63(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-(4-ethoxypiperidin-1-ium-1-yl)-1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CCOC1CCN(CC1)CC(=O)N(C)CC2=CC3=C(C=C2)C=C(C=C3)OC

DOS

IR

Vibrations