Geometry & MOs

Info

ID:	124557
PubChem CID:	50887237
Reduced:	ClIN2O5H18C21 (1)
Stoich.:	ABC2D5E18F21 (1)
Weight, g/mol:	419.184506
ΔH_f, kcal/mol:	-98.93
Dipole, Da:	7.79
IP(EA), eV:	-8.92(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-N-[(E)-(3,4-diethoxy-5-nitrophenyl)methylideneamino]aniline

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1I)/C=C\2/C(=NN(C2=O)C3=CC(=C(C=C3)Cl)C(=O)O)C)OC

DOS

IR

Vibrations