Geometry & MOs

Info

ID:	128842
PubChem CID:	51060325
Reduced:	ClN2O3C25H33 (1)
Stoich.:	AB2C3D25E33 (1)
Weight, g/mol:	566.02441
ΔH_f, kcal/mol:	-87.55
Dipole, Da:	6.21
IP(EA), eV:	-8.22(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(E)-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 2-chlorobenzoate

Drug info:

PubChemData

Smile

CCCCCCCCC(=O)N/N=C/C1=CC(=C(C=C1)OCC2=CC=C(C=C2)Cl)OCC

DOS

IR

Vibrations