Geometry & MOs

Info

ID:	292236
PubChem CID:	114536144
Reduced:	SO2N4C14H20 (1)
Stoich.:	AB2C4D14E20 (1)
Weight, g/mol:	227.236148
ΔH_f, kcal/mol:	-37.06
Dipole, Da:	8.95
IP(EA), eV:	-9.04(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3,4,5-trimethylpiperazin-1-yl)ethyl]butan-2-amine

Drug info:

PubChemData

Smile

CC1=CC(=NN1CCCNS(=O)(=O)C2=CC=C(C=C2)N)C

DOS

IR

Vibrations