Geometry & MOs

Info

ID:	132537
PubChem CID:	51375452
Reduced:	OBr2N3C26H28 (1)
Stoich.:	AB2C3D26E28 (1)
Weight, g/mol:	411.93708
ΔH_f, kcal/mol:	56.9
Dipole, Da:	3.64
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.990566
Charge, e:	-1

Chem-info

IUPAC name:

3,4-dibromo-2-[(2,5-dimethylphenyl)iminomethyl]-6-methoxyphenolate

Drug info:

PubChemData

Smile

C1CN(CC[NH+]1CC2=CC=CC=C2)C[C@H](CN3C4=C(C=C(C=C4)Br)C5=C3C=CC(=C5)Br)O

DOS

IR

Vibrations