Geometry & MOs

Info

ID:	266814
PubChem CID:	103579573
Reduced:	NOC5H5 (2)
Stoich.:	ABC5D5 (2)
Weight, g/mol:	265.981382
ΔH_f, kcal/mol:	-43.66
Dipole, Da:	2.54
IP(EA), eV:	-10.5(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2,4-dichloro-5-fluorophenyl)pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=C(C(=NC=C1C#N)C)CC(=O)O

DOS

IR

Vibrations