Geometry & MOs

Info

ID:	59147
PubChem CID:	24771246
Reduced:	ON2C21H24 (1)
Stoich.:	AB2C21D24 (1)
Weight, g/mol:	269.12766
ΔH_f, kcal/mol:	-19.54
Dipole, Da:	3.56
IP(EA), eV:	-8.21(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-aminopyrimidin-4-yl)-6-cyclobutyl-5,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-4-one

Drug info:

PubChemData

Smile

CCCN1C2=CC=CC=C2C3=C4C(=NC(=C31)C)CC(CC4=O)(C)C

DOS

IR

Vibrations