Geometry & MOs

Info

ID:	433335
PubChem CID:	135173472
Reduced:	N4O4C33H40 (1)
Stoich.:	A4B4C33D40 (1)
Weight, g/mol:	245.054889
ΔH_f, kcal/mol:	-126.12
Dipole, Da:	8.74
IP(EA), eV:	-9.18(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(4-oxo-2,3-dihydro-1H-pyrimidin-5-yl)pyrrolo[3,4-b]pyrazine-5,7-dione

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC(CC1)OC2CCCC(C2)N3C=C(C(=N3)C4=CC=NC=C4)C5=CC6=C(C=C5)C(=O)CC6

DOS

IR

Vibrations