Geometry & MOs

Info

ID:	16082
PubChem CID:	459273
Reduced:	BrNO2H10C15 (1)
Stoich.:	ABC2D10E15 (1)
Weight, g/mol:	314.98949
ΔH_f, kcal/mol:	-14.5
Dipole, Da:	3.54
IP(EA), eV:	-8.84(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-1-(methylamino)anthracene-9,10-dione

Drug info:

PubChemData

Smile

CNC1=CC(=CC2=C1C(=O)C3=CC=CC=C3C2=O)Br

DOS

IR

Vibrations