Geometry & MOs

Info

ID:	212512
PubChem CID:	81060770
Reduced:	N4C13H14 (1)
Stoich.:	A4B13C14 (1)
Weight, g/mol:	308.167083
ΔH_f, kcal/mol:	76.4
Dipole, Da:	5.33
IP(EA), eV:	-9.43(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-carbamothioyl-2,6-dimethylpyridin-4-yl)-methylamino]-N,N-diethylacetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C#N)N2C(=CC(=N2)C)C

DOS

IR

Vibrations