Geometry & MOs

Info

ID:	80271
PubChem CID:	49833794
Reduced:	ClO2N5C24H26 (1)
Stoich.:	AB2C5D24E26 (1)
Weight, g/mol:	436.130218
ΔH_f, kcal/mol:	5.02
Dipole, Da:	6.05
IP(EA), eV:	-8.6(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-[4-[(5-chloropyridin-2-yl)methoxy]-2-oxopyridin-1-yl]pyridin-2-yl]-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-one

Drug info:

PubChemData

Smile

CN1CCN(C2C1CCC2)C3=NC=C(C=C3)N4C=CC(=CC4=O)OCC5=NC=C(C=C5)Cl

DOS

IR

Vibrations