Geometry & MOs

Info

ID:	207977
PubChem CID:	80476387
Reduced:	SN4C10H14 (1)
Stoich.:	AB4C10D14 (1)
Weight, g/mol:	313.98886
ΔH_f, kcal/mol:	70.07
Dipole, Da:	3.21
IP(EA), eV:	-9.65(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-bromo-4-fluorophenyl)-N-methyl-1-(1,3-thiazol-5-yl)ethanamine

Drug info:

PubChemData

Smile

CCCN1C(=CC=N1)C(C2=CN=CS2)N

DOS

IR

Vibrations