Geometry & MOs

Info

ID:	353639
PubChem CID:	127285216
Reduced:	ON6C20H22 (1)
Stoich.:	AB6C20D22 (1)
Weight, g/mol:	331.16444
ΔH_f, kcal/mol:	54.85
Dipole, Da:	3.4
IP(EA), eV:	-8.71(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-dimethyl-2,4-dioxo-6-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]pyrimidine-5-carbonitrile

Drug info:

PubChemData

Smile

C1CC(=O)N(C1)C2CCN(CC2)C3=NC=NC4=C3C=NN4C5=CC=CC=C5

DOS

IR

Vibrations