Geometry & MOs

Info

ID:	34470
PubChem CID:	7978511
Reduced:	ClN3O3C18H28 (1)
Stoich.:	AB3C3D18E28 (1)
Weight, g/mol:	363.085521
ΔH_f, kcal/mol:	-146.25
Dipole, Da:	4.91
IP(EA), eV:	-9.58(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[2-(4-cyanophenoxy)acetyl]-2-oxochromene-3-carbohydrazide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations