Geometry & MOs

Info

ID:	266862
PubChem CID:	103579791
Reduced:	FCl2N3H10C11 (1)
Stoich.:	AB2C3D10E11 (1)
Weight, g/mol:	289.984753
ΔH_f, kcal/mol:	-8.76
Dipole, Da:	6.49
IP(EA), eV:	-8.92(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-dichloro-4-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline

Drug info:

PubChemData

Smile

CN1C=CN=C1CNC2=CC(=C(C(=C2)Cl)F)Cl

DOS

IR

Vibrations