Geometry & MOs

Info

ID:	193045
PubChem CID:	78337581
Reduced:	IN3O5H12C17 (1)
Stoich.:	AB3C5D12E17 (1)
Weight, g/mol:	308.054555
ΔH_f, kcal/mol:	-66.48
Dipole, Da:	8.69
IP(EA), eV:	-9.36(-1.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-nitro-N-(4-oxocinnolin-3-ylidene)benzamide

Drug info:

PubChemData

Smile

C1=CC2C(=NC(=O)N(C2=O)N=CC3=CC(=C(C=C3)OCC(=O)O)I)C=C1

DOS

IR

Vibrations