Geometry & MOs

Info

ID:	212231
PubChem CID:	81059893
Reduced:	SN3C14H15 (1)
Stoich.:	AB3C14D15 (1)
Weight, g/mol:	285.129969
ΔH_f, kcal/mol:	65.94
Dipole, Da:	4.59
IP(EA), eV:	-9.06(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-2,6-dimethylpyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C#N)NCCC2=CSC=C2

DOS

IR

Vibrations