Geometry & MOs

Info

ID:	197924
PubChem CID:	79016860
Reduced:	OSN2F3H3C8 (1)
Stoich.:	ABC2D3E3F8 (1)
Weight, g/mol:	260.13472
ΔH_f, kcal/mol:	-93.75
Dipole, Da:	4.48
IP(EA), eV:	-9.2(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-phenylpropan-1-amine

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1C2=NNC(=S)O2)F)F)F

DOS

IR

Vibrations