Geometry & MOs

Info

ID:	372120
PubChem CID:	131293402
Reduced:	ClF2O2C11H11 (1)
Stoich.:	AB2C2D11E11 (1)
Weight, g/mol:	224.97893
ΔH_f, kcal/mol:	-178.81
Dipole, Da:	2.04
IP(EA), eV:	-9.52(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-6-hydroxy-2,4-dimethylbenzonitrile

Drug info:

PubChemData

Smile

CC(=O)C(C1=CC(=C(C=C1)C(F)F)OC)Cl

DOS

IR

Vibrations