Geometry & MOs

Info

ID:	34472
PubChem CID:	7978513
Reduced:	ClN3O3C18H28 (1)
Stoich.:	AB3C3D18E28 (1)
Weight, g/mol:	366.09642
ΔH_f, kcal/mol:	-142.05
Dipole, Da:	3.35
IP(EA), eV:	-9.62(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N'-[2-(4-cyanophenoxy)acetyl]-3-(3-nitrophenyl)prop-2-enehydrazide

Drug info:

PubChemData

Smile

CCCCN1C(=C(C(=N1)C)C(=O)OCC(=O)N[C@H]2CCCC[C@@H]2C)Cl

DOS

IR

Vibrations