Geometry & MOs

Info

ID:	137238
PubChem CID:	52175459
Reduced:	BrNS2O4C10H14 (1)
Stoich.:	ABC2D4E10F14 (1)
Weight, g/mol:	319.249787
ΔH_f, kcal/mol:	-128.95
Dipole, Da:	4.66
IP(EA), eV:	-9.7(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-[4-(4-ethylpiperazin-1-ium-1-yl)butyl]-3-(4-methylphenyl)urea

Drug info:

PubChemData

Smile

CCCN(CC(=O)OC)S(=O)(=O)C1=CC=C(S1)Br

DOS

IR

Vibrations