Geometry & MOs

Info

ID:	343495
PubChem CID:	127266668
Reduced:	ON4C13H18 (1)
Stoich.:	AB4C13D18 (1)
Weight, g/mol:	347.159354
ΔH_f, kcal/mol:	29.37
Dipole, Da:	5.16
IP(EA), eV:	-8.58(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-methyl-2-[3-(3-methyl-2,6-dioxopyrimidin-1-yl)propylamino]pyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CN1C(=CC=N1)C2=CN=C(C=C2)N(C)CCOC

DOS

IR

Vibrations