Geometry & MOs

Info

ID:	448556
PubChem CID:	135291825
Reduced:	FN2O2C12H21 (1)
Stoich.:	AB2C2D12E21 (1)
Weight, g/mol:	397.310456
ΔH_f, kcal/mol:	-150.93
Dipole, Da:	1.42
IP(EA), eV:	-9.3(0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-cyclononyl-1,3-diazinan-4-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CCO[C@H]1CCN(C[C@H]1F)C(=O)[C@@H]2CCCN2

DOS

IR

Vibrations