Geometry & MOs

Info

ID:	266807
PubChem CID:	103579543
Reduced:	NOF3H10C12 (1)
Stoich.:	ABC3D10E12 (1)
Weight, g/mol:	200.040819
ΔH_f, kcal/mol:	-106.7
Dipole, Da:	3.71
IP(EA), eV:	-10.26(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(5-methylthiophen-2-yl)pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CCC(C#C)NC(=O)C1=CC(=C(C(=C1)F)F)F

DOS

IR

Vibrations