Geometry & MOs

Info

ID:	313768
PubChem CID:	126617520
Reduced:	FO2N5C20H20 (1)
Stoich.:	AB2C5D20E20 (1)
Weight, g/mol:	396.216141
ΔH_f, kcal/mol:	-40.72
Dipole, Da:	3.36
IP(EA), eV:	-8.82(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2R)-2-ethylmorpholin-4-yl]-N-(5-methylpyridin-2-yl)-5,6,8,9-tetrahydrooxepino[4,5-b]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

C1CN(C[C@H]1F)C2=NC3=C(CCOCC3)C(=C2)C(=O)NC4=NC=CC(=C4)C#N

DOS

IR

Vibrations