Geometry & MOs

Info

ID:	293563
PubChem CID:	117393224
Reduced:	BrNO2C10H10 (1)
Stoich.:	ABC2D10E10 (1)
Weight, g/mol:	255.00589
ΔH_f, kcal/mol:	-5.14
Dipole, Da:	0.9
IP(EA), eV:	-9.26(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-bromo-2-fluoro-5-propan-2-ylphenyl)acetonitrile

Drug info:

PubChemData

Smile

CONCC1=CC2=C(C=C1)OC=C2Br

DOS

IR

Vibrations