Geometry & MOs

Info

ID:	128865
PubChem CID:	51061531
Reduced:	Cl2N2O3H18C22 (1)
Stoich.:	A2B2C3D18E22 (1)
Weight, g/mol:	492.10486
ΔH_f, kcal/mol:	-28.32
Dipole, Da:	3.86
IP(EA), eV:	-8.76(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-bromo-2-[(E)-[(4-tert-butylbenzoyl)hydrazinylidene]methyl]phenyl] 3-methylbenzoate

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)/C=N/NC(=O)C2=CC=C(C=C2)OCC3=C(C=C(C=C3)Cl)Cl

DOS

IR

Vibrations