Geometry & MOs

Info

ID:	196393
PubChem CID:	78819223
Reduced:	ON5C13H19 (1)
Stoich.:	AB5C13D19 (1)
Weight, g/mol:	420.219512
ΔH_f, kcal/mol:	16.82
Dipole, Da:	4.41
IP(EA), eV:	-8.95(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-cyanoethyl)-N-methyl-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]propanamide

Drug info:

PubChemData

Smile

CC1=CC(=NN1CCCNC2=NC=CC(=N2)OC)C

DOS

IR

Vibrations