Geometry & MOs

Info

ID:	165863
PubChem CID:	74606575
Reduced:	BrClN3O4C20H25 (1)
Stoich.:	ABC3D4E20F25 (1)
Weight, g/mol:	398.125314
ΔH_f, kcal/mol:	-179.97
Dipole, Da:	4.47
IP(EA), eV:	-9.18(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2-[[[2-(2-cyanophenoxy)acetyl]hydrazinylidene]methyl]-4-phenyldiazenylphenolate

Drug info:

PubChemData

Smile

CCN1C(=O)C2CCCCC2N(C1=O)CC(=O)NC3=C(C(=CC(=C3)Cl)Br)OCC

DOS

IR

Vibrations