Geometry & MOs

Info

ID:	202458
PubChem CID:	79674450
Reduced:	SN2O6C10H10 (1)
Stoich.:	AB2C6D10E10 (1)
Weight, g/mol:	263.14339
ΔH_f, kcal/mol:	-158.94
Dipole, Da:	3.29
IP(EA), eV:	-10.19(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-fluoro-2-[1-(methylamino)ethyl]phenyl]morpholine-2-carbonitrile

Drug info:

PubChemData

Smile

C1COC(CN1S(=O)(=O)C2=CC=C(O2)C(=O)O)C#N

DOS

IR

Vibrations