Geometry & MOs

Info

ID:	37391
PubChem CID:	8020495
Reduced:	N3O3H15C16 (1)
Stoich.:	A3B3C15D16 (1)
Weight, g/mol:	309.132471
ΔH_f, kcal/mol:	-43.05
Dipole, Da:	5.39
IP(EA), eV:	-9.49(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl] (1R,2R)-2-methylcyclopropane-1-carboxylate

Drug info:

PubChemData

Smile

C[C@@H]1C[C@@H]1C(=O)OCC2=NC3=CC=CC=C3C(=O)N2CC#N

DOS

IR

Vibrations