Geometry & MOs

Info

ID:	292109
PubChem CID:	114453558
Reduced:	ClFON2H12C15 (1)
Stoich.:	ABCD2E12F15 (1)
Weight, g/mol:	256.023725
ΔH_f, kcal/mol:	-15.54
Dipole, Da:	2.17
IP(EA), eV:	-8.83(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-chloro-5-fluorophenyl)-N-methyl-1-(1,3-thiazol-2-yl)methanamine

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)NC(C#N)C2=CC(=CC(=C2)Cl)F

DOS

IR

Vibrations