Geometry & MOs

Info

ID:	19643
PubChem CID:	569536
Reduced:	NBr2O3H13C15 (1)
Stoich.:	AB2C3D13E15 (1)
Weight, g/mol:	414.92417
ΔH_f, kcal/mol:	-37.77
Dipole, Da:	3.79
IP(EA), eV:	-10.36(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(5,6-dibromo-2,6-dimethyl-4-oxocyclohex-2-en-1-ylidene)amino] benzoate

Drug info:

PubChemData

Smile

CC1=CC(=O)C(C(C1=NOC(=O)C2=CC=CC=C2)(C)Br)Br

DOS

IR

Vibrations