Geometry & MOs

Info

ID:	370806
PubChem CID:	127340621
Reduced:	FON4C20H25 (1)
Stoich.:	ABC4D20E25 (1)
Weight, g/mol:	358.211724
ΔH_f, kcal/mol:	-31.37
Dipole, Da:	6.16
IP(EA), eV:	-9.03(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-(4-cyclopentyl-1,4-diazepan-1-yl)-2-oxoethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

C1CCC(C1)N2CCCN(CC2)C(=O)C3=CC(=NN3)C4=CC=C(C=C4)F

DOS

IR

Vibrations