Geometry & MOs

Info

ID:	128817
PubChem CID:	51059519
Reduced:	Cl2N2O3H10C18 (1)
Stoich.:	A2B2C3D10E18 (1)
Weight, g/mol:	491.228102
ΔH_f, kcal/mol:	-31.95
Dipole, Da:	2.82
IP(EA), eV:	-9.6(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(2E,5E)-2,5-bis[(2-cyanoacetyl)hydrazinylidene]cyclohexyl]-N-(2,6-dimethylphenyl)-5-oxopentanamide

Drug info:

PubChemData

Smile

CC1=C(OC2=C(C1=O)C=C(C=C2Cl)Cl)C(=O)NC3=CC=CC=C3C#N

DOS

IR

Vibrations