Geometry & MOs

Info

ID:	1182
PubChem CID:	3921
Reduced:	Br2N2O2H8C11 (1)
Stoich.:	A2B2C2D8E11 (1)
Weight, g/mol:	359.8932
ΔH_f, kcal/mol:	-35.43
Dipole, Da:	1.45
IP(EA), eV:	-9.51(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2,5-dibromoanilino)-hydroxymethylidene]-3-oxobutanenitrile

Drug info:

PubChemData

Smile

CC(=O)C(=C(NC1=C(C=CC(=C1)Br)Br)O)C#N

DOS

IR

Vibrations