Geometry & MOs

Info

ID:	282561
PubChem CID:	103931120
Reduced:	OF2N2C13H14 (1)
Stoich.:	AB2C2D13E14 (1)
Weight, g/mol:	217.121512
ΔH_f, kcal/mol:	-85.39
Dipole, Da:	3.24
IP(EA), eV:	-8.86(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyridine-2-carbonitrile

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@@H](O1)C)C2=C(C=C(C=C2F)C#N)F

DOS

IR

Vibrations