Geometry & MOs

Info

ID:	128833
PubChem CID:	51060175
Reduced:	BrClN2O4H24C26 (1)
Stoich.:	ABC2D4E24F26 (1)
Weight, g/mol:	415.153206
ΔH_f, kcal/mol:	-74.91
Dipole, Da:	6.32
IP(EA), eV:	-9.09(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(E)-[[2-(3-methylanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 3-methylbenzoate

Drug info:

PubChemData

Smile

CCCCC1=CC=C(C=C1)OCC(=O)N/N=C/C2=C(C=CC(=C2)Br)OC(=O)C3=CC=CC=C3Cl

DOS

IR

Vibrations