Geometry & MOs

Info

ID:	34475
PubChem CID:	7978518
Reduced:	ClN4O4C12H17 (1)
Stoich.:	AB4C4D12E17 (1)
Weight, g/mol:	391.128054
ΔH_f, kcal/mol:	-159.79
Dipole, Da:	2.86
IP(EA), eV:	-9.69(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[2-(4-cyanophenoxy)acetyl]-3-ethyl-4-oxophthalazine-1-carbohydrazide

Drug info:

PubChemData

Smile

CCCCN1C(=C(C(=N1)C)C(=O)OCC(=O)NC(=O)N)Cl

DOS

IR

Vibrations