Geometry & MOs

Info

ID:	173051
PubChem CID:	75589801
Reduced:	ON4C20H24 (1)
Stoich.:	AB4C20D24 (1)
Weight, g/mol:	374.195405
ΔH_f, kcal/mol:	36.58
Dipole, Da:	5.07
IP(EA), eV:	-9.3(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-methyl-4,6-dioxo-3-propan-2-yl-1-(2-propan-2-ylpyrimidin-4-yl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylate

Drug info:

PubChemData

Smile

C1CCC2C(C1)C(=O)CC(N2)C3=NC(=NN3C4=CC=CC=C4)C5CC5

DOS

IR

Vibrations