Geometry & MOs

Info

ID:	313772
PubChem CID:	126617536
Reduced:	PO3N4C14H15 (1)
Stoich.:	AB3C4D14E15 (1)
Weight, g/mol:	400.191069
ΔH_f, kcal/mol:	-71.28
Dipole, Da:	3.4
IP(EA), eV:	-9.31(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-fluoropiperidin-1-yl)-N-(5-methoxypyridin-3-yl)-5,6,8,9-tetrahydrooxepino[4,5-b]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

C1COCCC2=C1C(=CC(=O)N2P)C(=O)NC3=NC=CN=C3

DOS

IR

Vibrations