Geometry & MOs

Info

ID:	312078
PubChem CID:	126602508
Reduced:	ON4C16H20 (1)
Stoich.:	AB4C16D20 (1)
Weight, g/mol:	428.184841
ΔH_f, kcal/mol:	16.46
Dipole, Da:	4.84
IP(EA), eV:	-8.61(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(=C[C@@H]1N2CCNCC2)C3=CN4C=CC=C4C(=O)N3

DOS

IR

Vibrations