Geometry & MOs

Info

ID:	204245
PubChem CID:	79935273
Reduced:	ON3C16H29 (1)
Stoich.:	AB3C16D29 (1)
Weight, g/mol:	366.00713
ΔH_f, kcal/mol:	-71.85
Dipole, Da:	5.14
IP(EA), eV:	-8.83(1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-bromo-4-methylthiophen-2-yl)sulfonyl-4-propylpiperazine

Drug info:

PubChemData

Smile

CC1CN2CCCCC2CN1C(=O)CC3CCCCN3

DOS

IR

Vibrations