Geometry & MOs

Info

ID:	212449
PubChem CID:	81060568
Reduced:	SO2N3C13H17 (1)
Stoich.:	AB2C3D13E17 (1)
Weight, g/mol:	316.02113
ΔH_f, kcal/mol:	-53.96
Dipole, Da:	3.81
IP(EA), eV:	-9.41(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-bromo-4-methylphenoxy)-2,6-dimethylpyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C#N)NCC2CCCS2(=O)=O

DOS

IR

Vibrations