Geometry & MOs

Info

ID:	271266
PubChem CID:	103652037
Reduced:	NO2F4C12H13 (1)
Stoich.:	AB2C4D12E13 (1)
Weight, g/mol:	275.026168
ΔH_f, kcal/mol:	-281.5
Dipole, Da:	3.04
IP(EA), eV:	-9.4(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-chloro-5-fluorophenyl)-5-cyanopyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C(=O)NC1=C(C=CC(=C1)C(F)(F)F)F)OC

DOS

IR

Vibrations