Geometry & MOs

Info

ID:	375263
PubChem CID:	131485251
Reduced:	BrNO2H10C11 (1)
Stoich.:	ABC2D10E11 (1)
Weight, g/mol:	266.98949
ΔH_f, kcal/mol:	-27.36
Dipole, Da:	3.5
IP(EA), eV:	-9.26(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-2-methoxy-3,6-dimethylbenzoyl cyanide

Drug info:

PubChemData

Smile

C1CC(C1)(C#N)C2=C(C(=CC(=C2)Br)O)O

DOS

IR

Vibrations