Geometry & MOs

Info

ID:	313773
PubChem CID:	126617544
Reduced:	FO3N4C21H25 (1)
Stoich.:	AB3C4D21E25 (1)
Weight, g/mol:	400.191069
ΔH_f, kcal/mol:	-124.48
Dipole, Da:	5.19
IP(EA), eV:	-8.58(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-(2-fluoropyridin-4-yl)-5,6,8,9-tetrahydrooxepino[4,5-b]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

COC1=CN=CC(=C1)NC(=O)C2=CC(=NC3=C2CCOCC3)N4CCC(CC4)F

DOS

IR

Vibrations