Geometry & MOs

Info

ID:	313567
PubChem CID:	126615912
Reduced:	NO10C15H23 (1)
Stoich.:	AB10C15D23 (1)
Weight, g/mol:	400.191069
ΔH_f, kcal/mol:	-423.45
Dipole, Da:	2.06
IP(EA), eV:	-9.42(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1CC(C(=O)O)N)O)O.C([C@H]([C@H]([C@@H]([C@H](C=O)O)O)O)O)O

DOS

IR

Vibrations