Geometry & MOs

Info

ID:	296641
PubChem CID:	117586882
Reduced:	SN2O3H8C11 (1)
Stoich.:	AB2C3D8E11 (1)
Weight, g/mol:	259.055718
ΔH_f, kcal/mol:	-55.17
Dipole, Da:	4.4
IP(EA), eV:	-9.27(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-cyano-N-(3,4-difluorophenyl)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

C1=CSC(=C1)NC(=O)C2=CN=C(C=C2)C(=O)O

DOS

IR

Vibrations