Geometry & MOs

Info

ID:	264557
PubChem CID:	103469428
Reduced:	OF3N3H8C13 (1)
Stoich.:	AB3C3D8E13 (1)
Weight, g/mol:	281.152812
ΔH_f, kcal/mol:	-103.96
Dipole, Da:	3.41
IP(EA), eV:	-9.14(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-6-(2-tert-butyl-4-methylphenoxy)pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(F)(F)F)OC2=C(C=C(C=N2)C#N)N

DOS

IR

Vibrations