Geometry & MOs

Info

ID:	175288
PubChem CID:	75879520
Reduced:	O3N5C19H21 (1)
Stoich.:	A3B5C19D21 (1)
Weight, g/mol:	450.161816
ΔH_f, kcal/mol:	-22.58
Dipole, Da:	7.02
IP(EA), eV:	-9.62(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-chloro-N-[[4-[(3-methylpiperidin-1-ium-1-yl)methyl]phenyl]methyl]-5-(methylsulfamoyl)benzamide

Drug info:

PubChemData

Smile

CCC1=C(C=NC2=NC=NN12)C(=O)OCC(=O)N(C)C(C)C3=CC=CC=C3

DOS

IR

Vibrations