Geometry & MOs

Info

ID:	212463
PubChem CID:	81060599
Reduced:	SO2N3C12H15 (1)
Stoich.:	AB2C3D12E15 (1)
Weight, g/mol:	301.02146
ΔH_f, kcal/mol:	-49.75
Dipole, Da:	3.97
IP(EA), eV:	-9.64(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C#N)NC2CCS(=O)(=O)C2

DOS

IR

Vibrations