Geometry & MOs

Info

ID:	31905
PubChem CID:	3723210
Reduced:	BrClN3O4H17C26 (1)
Stoich.:	ABC3D4E17F26 (1)
Weight, g/mol:	519.95922
ΔH_f, kcal/mol:	-25.22
Dipole, Da:	5.57
IP(EA), eV:	-8.86(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-bromo-2-[[(2,4-dichlorobenzoyl)hydrazinylidene]methyl]phenyl] 4-methoxybenzoate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2NC(=O)C(=O)NN=CC3=C(C=CC(=C3)Br)OC(=O)C4=CC=CC=C4Cl

DOS

IR

Vibrations