Geometry & MOs

Info

ID:	282836
PubChem CID:	103941455
Reduced:	SN2O3C15H16 (1)
Stoich.:	AB2C3D15E16 (1)
Weight, g/mol:	299.130363
ΔH_f, kcal/mol:	-15.91
Dipole, Da:	7.89
IP(EA), eV:	-8.84(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-[4-nitro-5-(4-propylpiperazin-1-yl)thiophen-2-yl]ethanol

Drug info:

PubChemData

Smile

C[C@H](C1=CC(=C(S1)N2CCCC3=CC=CC=C32)[N+](=O)[O-])O

DOS

IR

Vibrations