Geometry & MOs

Info

ID:	172931
PubChem CID:	75574100
Reduced:	Br2N3O3H11C16 (1)
Stoich.:	A2B3C3D11E16 (1)
Weight, g/mol:	408.00832
ΔH_f, kcal/mol:	37.7
Dipole, Da:	8.05
IP(EA), eV:	-9.02(-2.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-5-[(2-iodophenyl)hydrazinylidene]-4-methyl-2,6-dioxopyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CCOC1=CC(=CNC2=CC3=NC(=O)N=C3C=C2)C(=C(C1=O)Br)Br

DOS

IR

Vibrations