Geometry & MOs

Info

ID:	374491
PubChem CID:	131330469
Reduced:	BrO2N3H6C8 (1)
Stoich.:	AB2C3D6E8 (1)
Weight, g/mol:	254.9695
ΔH_f, kcal/mol:	3.02
Dipole, Da:	3.38
IP(EA), eV:	-9.9(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-3-fluoro-5,6-dimethylbenzoyl cyanide

Drug info:

PubChemData

Smile

COC(=O)C1=NN=C2N1C=C(C=C2)Br

DOS

IR

Vibrations