Geometry & MOs

Info

ID:	205339
PubChem CID:	80088608
Reduced:	BrO2C13H19 (1)
Stoich.:	AB2C13D19 (1)
Weight, g/mol:	254.18167
ΔH_f, kcal/mol:	-78.87
Dipole, Da:	1.8
IP(EA), eV:	-8.27(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-1-(4-methyl-1,3-thiazol-2-yl)-N-propylpentan-2-amine

Drug info:

PubChemData

Smile

CCC(CC)OC1=C(C=CC(=C1)CBr)OC

DOS

IR

Vibrations