Geometry & MOs

Info

ID:	268913
PubChem CID:	103602148
Reduced:	INO3C12H12 (1)
Stoich.:	ABC3D12E12 (1)
Weight, g/mol:	258.085186
ΔH_f, kcal/mol:	-90.87
Dipole, Da:	1.65
IP(EA), eV:	-9.34(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-5-nitrofuran-2-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC1=O)C(=O)C2=C(C=CC(=C2)I)O

DOS

IR

Vibrations