Geometry & MOs

Info

ID:	227795
PubChem CID:	87562507
Reduced:	F3O3N4H19C23 (1)
Stoich.:	A3B3C4D19E23 (1)
Weight, g/mol:	284.01604
ΔH_f, kcal/mol:	-171.28
Dipole, Da:	6.53
IP(EA), eV:	-8.86(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2Z)-2-[(2-bromo-4-methylphenyl)hydrazinylidene]propanoate

Drug info:

PubChemData

Smile

C1C(C2=C(N1)C=C(C=C2)C3=CN=CN=C3)C(C4=CC=CC=C4)C(C(=O)OC(=O)C(F)(F)F)N

DOS

IR

Vibrations