Geometry & MOs

Info

ID:	433129
PubChem CID:	135173266
Reduced:	O4N7C37H41 (1)
Stoich.:	A4B7C37D41 (1)
Weight, g/mol:	451.03929
ΔH_f, kcal/mol:	-93.12
Dipole, Da:	6.13
IP(EA), eV:	-8.24(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(6-iodopyridin-3-yl)oxypiperidin-1-yl]-3-methyl-7H-furo[3,4-b]pyridin-5-one

Drug info:

PubChemData

Smile

C[C@H]1CC[C@H](N1C(=O)[C@H](C(C)C)NC(=O)OC)C2=NC3=C(N2)C=CC4=CC5=C(C=C43)OCC6=C5C=CC(=C6)C7=CN=C(N7)[C@@H]8CCCN8

DOS

IR

Vibrations