Geometry & MOs

Info

ID:	314008
PubChem CID:	126619557
Reduced:	ON4C24H26 (1)
Stoich.:	AB4C24D26 (1)
Weight, g/mol:	427.200825
ΔH_f, kcal/mol:	35.86
Dipole, Da:	2.99
IP(EA), eV:	-8.81(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(3R)-3-[4-(1-oxo-2,3-dihydroisoindol-5-yl)piperazin-1-yl]cyclopenten-1-yl]-6H-1,6-naphthyridin-5-one

Drug info:

PubChemData

Smile

CC1=CC=CC=C1N2CCN(CC2)[C@@H]3CCC(=C3)C4=CC5=C(C=CC=N5)C(=O)N4

DOS

IR

Vibrations