Geometry & MOs

Info

ID:	212450
PubChem CID:	81060576
Reduced:	BrON2H13C15 (1)
Stoich.:	ABC2D13E15 (1)
Weight, g/mol:	349.99161
ΔH_f, kcal/mol:	29.27
Dipole, Da:	6.71
IP(EA), eV:	-9.69(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-iodophenoxy)-2,6-dimethylpyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC2=C(C(=NC(=C2)C)C)C#N)Br

DOS

IR

Vibrations