Geometry & MOs

Info

ID:	206854
PubChem CID:	80310331
Reduced:	FSN3H10C12 (1)
Stoich.:	ABC3D10E12 (1)
Weight, g/mol:	279.120547
ΔH_f, kcal/mol:	39.04
Dipole, Da:	6.66
IP(EA), eV:	-8.93(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(5-fluoropyridin-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-2-amine

Drug info:

PubChemData

Smile

CC1=CSC(=N1)CNC2=CC(=C(C=C2)F)C#N

DOS

IR

Vibrations