Geometry & MOs

Info

ID:	311990
PubChem CID:	126600594
Reduced:	N3O4F6H15C20 (1)
Stoich.:	A3B4C6D15E20 (1)
Weight, g/mol:	396.216141
ΔH_f, kcal/mol:	-396.88
Dipole, Da:	7.8
IP(EA), eV:	-9.05(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2R)-2-ethylmorpholin-4-yl]-N-(6-methylpyridin-3-yl)-5,6,8,9-tetrahydrooxepino[4,5-b]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

C1[C@H](O[C@@H](N1C2=CC(=C(C=C2)C#N)C(F)(F)F)C(F)(F)F)COC3=CC=C(C=C3)NC(=O)O

DOS

IR

Vibrations