Geometry & MOs

Info

ID:	276923
PubChem CID:	103825805
Reduced:	FON3C12H16 (1)
Stoich.:	ABC3D12E16 (1)
Weight, g/mol:	303.064175
ΔH_f, kcal/mol:	-70.07
Dipole, Da:	5.62
IP(EA), eV:	-8.9(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-fluoro-N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]pyridin-3-amine

Drug info:

PubChemData

Smile

CC(=O)N1CCC(CC1)NC2=CN=C(C=C2)F

DOS

IR

Vibrations