Geometry & MOs

Info

ID:	212375
PubChem CID:	81060302
Reduced:	SO2N3C12H17 (1)
Stoich.:	AB2C3D12E17 (1)
Weight, g/mol:	271.114319
ΔH_f, kcal/mol:	-46.8
Dipole, Da:	4.33
IP(EA), eV:	-9.1(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3-ethylthiophen-2-yl)methylamino]-2,6-dimethylpyridine-3-carbonitrile

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations