Geometry & MOs

Info

ID:	293564
PubChem CID:	117393240
Reduced:	BrFNC11H11 (1)
Stoich.:	ABCD11E11 (1)
Weight, g/mol:	255.00589
ΔH_f, kcal/mol:	-12.29
Dipole, Da:	4.87
IP(EA), eV:	-9.82(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-bromo-4-fluoro-5-propan-2-ylphenyl)acetonitrile

Drug info:

PubChemData

Smile

CC(C)C1=CC(=C(C(=C1)Br)F)CC#N

DOS

IR

Vibrations