Geometry & MOs

Info

ID:	368099
PubChem CID:	127327475
Reduced:	FON5C20H26 (1)
Stoich.:	ABC5D20E26 (1)
Weight, g/mol:	329.160023
ΔH_f, kcal/mol:	-49.44
Dipole, Da:	7.11
IP(EA), eV:	-8.37(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,7-dimethyl-8-[3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]purine-2,6-dione

Drug info:

PubChemData

Smile

C1CC(CN(C1)C2=CC(=CC=C2)F)NC3=CC(=NC=N3)N4CCCC4CO

DOS

IR

Vibrations