Geometry & MOs

Info

ID:	54666
PubChem CID:	17389066
Reduced:	N4O4C27H28 (1)
Stoich.:	A4B4C27D28 (1)
Weight, g/mol:	441.189986
ΔH_f, kcal/mol:	-34.94
Dipole, Da:	1.51
IP(EA), eV:	-8.78(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[[2-[(2E)-2-[(3-ethoxy-4-propoxyphenyl)methylidene]hydrazinyl]-2-oxoacetyl]amino]benzoate

Drug info:

PubChemData

Smile

COC1=CC=CC=C1N2CCN(CC2)C(=O)C(=O)N/N=C/C3=CC=CC=C3OCC4=CC=CC=C4

DOS

IR

Vibrations