Geometry & MOs

Info

ID:	290436
PubChem CID:	104513003
Reduced:	BrNOF3H9C10 (1)
Stoich.:	ABCD3E9F10 (1)
Weight, g/mol:	228.093249
ΔH_f, kcal/mol:	-193.13
Dipole, Da:	3.9
IP(EA), eV:	-10.2(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-methyl-2-[1-(methylamino)propan-2-yl]-1,3-thiazole-4-carboxylate

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)C(F)(F)F)CC(C(=O)N)Br

DOS

IR

Vibrations