Geometry & MOs

Info

ID:	225610
PubChem CID:	85856312
Reduced:	O3C13H20 (1)
Stoich.:	A3B13C20 (1)
Weight, g/mol:	237.057198
ΔH_f, kcal/mol:	-148.78
Dipole, Da:	2.23
IP(EA), eV:	-9.69(0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(5-cyano-2-methylsulfanylpyrimidin-4-yl)acetate

Drug info:

PubChemData

Smile

C1CCC(=O)C2(CC1)CCCC23OCCO3

DOS

IR

Vibrations