Geometry & MOs

Info

ID:	212538
PubChem CID:	81060882
Reduced:	ON3C15H21 (1)
Stoich.:	AB3C15D21 (1)
Weight, g/mol:	307.135448
ΔH_f, kcal/mol:	-10.34
Dipole, Da:	3.98
IP(EA), eV:	-8.97(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(3-carbamothioyl-2,6-dimethylpyridin-4-yl)-cyclopropylamino]acetate

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C#N)OCCN2CCCCC2

DOS

IR

Vibrations