Geometry & MOs

Info

ID:	212256
PubChem CID:	81059944
Reduced:	ON2C13H16 (1)
Stoich.:	AB2C13D16 (1)
Weight, g/mol:	308.167083
ΔH_f, kcal/mol:	7.81
Dipole, Da:	2.73
IP(EA), eV:	-9.92(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-carbamothioyl-2,6-dimethylpyridin-4-yl)-ethylamino]-N-propan-2-ylacetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C#N)OCCCC=C

DOS

IR

Vibrations