Geometry & MOs

Info

ID:	183895
PubChem CID:	77087754
Reduced:	ON5C14H15 (1)
Stoich.:	AB5C14D15 (1)
Weight, g/mol:	264.12224
ΔH_f, kcal/mol:	66.13
Dipole, Da:	5.46
IP(EA), eV:	-8.54(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(3aS,6aS)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-5-carbonyl]-1H-pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

C1CN(CC2=C1N=C(N2)C3=CNN=C3)CC4=COC=C4

DOS

IR

Vibrations