Geometry & MOs

Info

ID:	282560
PubChem CID:	103931109
Reduced:	BrON2C11H15 (1)
Stoich.:	ABC2D11E15 (1)
Weight, g/mol:	252.107419
ΔH_f, kcal/mol:	-18.54
Dipole, Da:	3.16
IP(EA), eV:	-8.71(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3,5-difluorobenzonitrile

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@@H](O1)C)C2=CC(=CN=C2)Br

DOS

IR

Vibrations