Geometry & MOs

Info

ID:	210325
PubChem CID:	80788921
Reduced:	O2N4C11H18 (1)
Stoich.:	A2B4C11D18 (1)
Weight, g/mol:	256.099397
ΔH_f, kcal/mol:	-69.66
Dipole, Da:	1.83
IP(EA), eV:	-8.97(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]acetate

Drug info:

PubChemData

Smile

CCCNC1=CC(=NC=N1)NCC(=O)OCC

DOS

IR

Vibrations