Geometry & MOs

Info

ID:	175596
PubChem CID:	75926056
Reduced:	SO4N5C22H29 (1)
Stoich.:	AB4C5D22E29 (1)
Weight, g/mol:	261.196688
ΔH_f, kcal/mol:	-35.81
Dipole, Da:	7.49
IP(EA), eV:	-9.05(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[1-(3-phenylpropyl)piperidin-1-ium-2-yl]acetamide

Drug info:

PubChemData

Smile

CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC(=C(C=C2)N3CCC(CC3)N4CCNC4)[N+](=O)[O-]

DOS

IR

Vibrations