Geometry & MOs

Info

ID:	263444
PubChem CID:	103367925
Reduced:	N2F3C12H17 (1)
Stoich.:	A2B3C12D17 (1)
Weight, g/mol:	238.075154
ΔH_f, kcal/mol:	-103.92
Dipole, Da:	4.68
IP(EA), eV:	-9.38(0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3,3-trifluoro-2-[(2-methylthiomorpholin-4-yl)methyl]propanenitrile

Drug info:

PubChemData

Smile

C1CC1CN(CC2CC2)CC(C#N)C(F)(F)F

DOS

IR

Vibrations