Geometry & MOs

Info

ID:	26816
PubChem CID:	798750
Reduced:	NO4C17H19 (1)
Stoich.:	AB4C17D19 (1)
Weight, g/mol:	254.108899
ΔH_f, kcal/mol:	-128.57
Dipole, Da:	6.52
IP(EA), eV:	-8.3(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(benzenesulfonyl)-4-ethylpiperazine

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)NC(=O)C2=CC(=C(C=C2)OC)OC)O)C

DOS

IR

Vibrations