Geometry & MOs

Info

ID:	158323
PubChem CID:	56463357
Reduced:	ON2C12H14 (2)
Stoich.:	AB2C12D14 (2)
Weight, g/mol:	408.219512
ΔH_f, kcal/mol:	24.88
Dipole, Da:	5.92
IP(EA), eV:	-8.66(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[cyclopropyl(methyl)amino]propyl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC(CNC(=O)C1=NN(C(=C1)C2=CC=C(C=C2)OC)C3=CC=CC=C3)N(C)C4CC4

DOS

IR

Vibrations