Geometry & MOs

Info

ID:	282837
PubChem CID:	103941457
Reduced:	SN3O3C13H21 (1)
Stoich.:	AB3C3D13E21 (1)
Weight, g/mol:	285.114713
ΔH_f, kcal/mol:	-44.8
Dipole, Da:	7.59
IP(EA), eV:	-8.83(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-[5-(4-ethylpiperazin-1-yl)-4-nitrothiophen-2-yl]ethanol

Drug info:

PubChemData

Smile

CCCN1CCN(CC1)C2=C(C=C(S2)[C@@H](C)O)[N+](=O)[O-]

DOS

IR

Vibrations