Geometry & MOs

Info

ID:	280855
PubChem CID:	103851626
Reduced:	FN4C14H15 (1)
Stoich.:	AB4C14D15 (1)
Weight, g/mol:	261.099892
ΔH_f, kcal/mol:	41.52
Dipole, Da:	4.79
IP(EA), eV:	-9.29(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[(3,5-difluorophenyl)methylamino]ethylsulfanyl]propan-1-ol

Drug info:

PubChemData

Smile

CC1=C(C=NN1C)CNCC2=C(C=C(C=C2)C#N)F

DOS

IR

Vibrations