Geometry & MOs

Info

ID:	69455
PubChem CID:	47179884
Reduced:	BrN2O2C15H21 (1)
Stoich.:	AB2C2D15E21 (1)
Weight, g/mol:	317.9804
ΔH_f, kcal/mol:	-85.67
Dipole, Da:	2.02
IP(EA), eV:	-9.44(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-bromo-5-fluorophenyl)-3-oxo-2-pyridin-2-ylpropanenitrile

Drug info:

PubChemData

Smile

CCCC(C)N(C)C(=O)CNC(=O)C1=CC=CC=C1Br

DOS

IR

Vibrations