Geometry & MOs

Info

ID:	287726
PubChem CID:	104252986
Reduced:	BrON3C15H22 (1)
Stoich.:	ABC3D15E22 (1)
Weight, g/mol:	242.145285
ΔH_f, kcal/mol:	-45.27
Dipole, Da:	3.2
IP(EA), eV:	-9.3(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-(2-methoxypropyl)-4-methyl-1,3-thiazol-5-yl]methyl]propan-1-amine

Drug info:

PubChemData

Smile

C1CCC(C1)C2=C(C(=NC(=N2)CC3CCCCO3)N)Br

DOS

IR

Vibrations