Geometry & MOs

Info

ID:	29013
PubChem CID:	831119
Reduced:	BrNO2H12C17 (1)
Stoich.:	ABC2D12E17 (1)
Weight, g/mol:	316.06147
ΔH_f, kcal/mol:	23.29
Dipole, Da:	3.02
IP(EA), eV:	-8.61(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[[(3-chlorobenzoyl)hydrazinylidene]methyl]benzoate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)N=CC2=CC=C(O2)C3=CC=C(C=C3)Br)O

DOS

IR

Vibrations