Geometry & MOs

Info

ID:	9136
PubChem CID:	86425
Reduced:	BrN2O3H11C17 (1)
Stoich.:	AB2C3D11E17 (1)
Weight, g/mol:	369.9953
ΔH_f, kcal/mol:	-4.51
Dipole, Da:	3.26
IP(EA), eV:	-9.46(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromo-9,10-dioxo-4a,9a-dihydroanthracen-1-yl)-1-cyano-N-methylformamide

Drug info:

PubChemData

Smile

CN(C1=CC=C(C2C1C(=O)C3=CC=CC=C3C2=O)Br)C(=O)C#N

DOS

IR

Vibrations