Geometry & MOs

Info

ID:	311996
PubChem CID:	126600712
Reduced:	ClN2O4C17H25 (1)
Stoich.:	AB2C4D17E25 (1)
Weight, g/mol:	320.173607
ΔH_f, kcal/mol:	-197.24
Dipole, Da:	3.13
IP(EA), eV:	-9.12(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5,6,8,9-tetrahydrooxepino[4,5-b]pyridine-4-carboxylate

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@@H](O1)C)C2=NC3=C(CCOCC3)C(=C2)C(=O)OC.Cl

DOS

IR

Vibrations