Geometry & MOs

Info

ID:	24972
PubChem CID:	615772
Reduced:	IN3O4H8C12 (1)
Stoich.:	AB3C4D8E12 (1)
Weight, g/mol:	384.95595
ΔH_f, kcal/mol:	34.79
Dipole, Da:	5.26
IP(EA), eV:	-9.78(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-iodo-N-[(5-nitrofuran-2-yl)methylideneamino]benzamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)I)C(=O)NN=CC2=CC=C(O2)[N+](=O)[O-]

DOS

IR

Vibrations