Geometry & MOs

Info

ID:	312000
PubChem CID:	126600716
Reduced:	N2O3C15H20 (1)
Stoich.:	A2B3C15D20 (1)
Weight, g/mol:	588.180934
ΔH_f, kcal/mol:	-91.35
Dipole, Da:	1.45
IP(EA), eV:	-8.68(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@@H](O1)C)C2=CC(=CC(=N2)C=C)C(=O)OC

DOS

IR

Vibrations