Geometry & MOs

Info

ID:	285133
PubChem CID:	104098290
Reduced:	SN2O3C13H20 (1)
Stoich.:	AB2C3D13E20 (1)
Weight, g/mol:	278.072513
ΔH_f, kcal/mol:	-46.73
Dipole, Da:	8.38
IP(EA), eV:	-9.65(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(5-nitrothiophen-2-yl)methylamino]phenyl]ethanol

Drug info:

PubChemData

Smile

C1CCC(CC1)(CNCC2=CC=C(S2)[N+](=O)[O-])CO

DOS

IR

Vibrations