Geometry & MOs

Info

ID:	341312
PubChem CID:	127264005
Reduced:	ClN2F6C10H11 (1)
Stoich.:	AB2C6D10E11 (1)
Weight, g/mol:	213.070225
ΔH_f, kcal/mol:	-330.91
Dipole, Da:	4.63
IP(EA), eV:	-9.63(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-amino-2-fluorophenyl)pyridine-2-carbonitrile

Drug info:

PubChemData

Smile

C1=C(C=C(N=C1CCCN)C(F)(F)F)C(F)(F)F.Cl

DOS

IR

Vibrations