Geometry & MOs

Info

ID:	341283
PubChem CID:	127263830
Reduced:	N2O2C7H10 (1)
Stoich.:	A2B2C7D10 (1)
Weight, g/mol:	217.045153
ΔH_f, kcal/mol:	-52.0
Dipole, Da:	2.79
IP(EA), eV:	-9.42(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-fluoro-2-(5-fluoropyrimidin-2-yl)benzonitrile

Drug info:

PubChemData

Smile

C1[C@H](OCC2=NC=CN21)CO

DOS

IR

Vibrations