Geometry & MOs

Info

ID:	158177
PubChem CID:	56463107
Reduced:	ClN2O2C21H25 (1)
Stoich.:	AB2C2D21E25 (1)
Weight, g/mol:	427.169641
ΔH_f, kcal/mol:	-30.12
Dipole, Da:	3.44
IP(EA), eV:	-8.77(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-[2-[cyclopropyl(methyl)amino]propyl]-3-(3-methylpiperidin-1-yl)sulfonylbenzamide

Drug info:

PubChemData

Smile

CC(CNC(=O)C1=CC=CC=C1OCC2=CC=CC=C2Cl)N(C)C3CC3

DOS

IR

Vibrations