Geometry & MOs

Info

ID:	433140
PubChem CID:	135173277
Reduced:	ClO2H15C17 (1)
Stoich.:	AB2C15D17 (1)
Weight, g/mol:	451.05052
ΔH_f, kcal/mol:	-63.26
Dipole, Da:	2.72
IP(EA), eV:	-8.61(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(6-iodopyridin-3-yl)oxypiperidin-1-yl]-2-methyl-5,6-dihydropyrrolo[3,4-b]pyrazin-7-one

Drug info:

PubChemData

Smile

C1CC(C2=CC3=C(C=C2C1)C4=C(CO3)C=C(C=C4)Cl)O

DOS

IR

Vibrations