Geometry & MOs

Info

ID:	184346
PubChem CID:	77148814
Reduced:	FNOH16C21 (1)
Stoich.:	ABCD16E21 (1)
Weight, g/mol:	294.085186
ΔH_f, kcal/mol:	-6.65
Dipole, Da:	2.94
IP(EA), eV:	-9.31(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(hydroxymethyl)-2-(4-nitroindol-1-yl)oxolane-3,4-diol

Drug info:

PubChemData

Smile

C1CC2(CC3=C(C2)C=C(C=C3)C4=CC=CC(=C4)C#N)C(=O)C=C1F

DOS

IR

Vibrations