Geometry & MOs

Info

ID:	279573
PubChem CID:	103844368
Reduced:	ClON3C12H20 (1)
Stoich.:	ABC3D12E20 (1)
Weight, g/mol:	242.145285
ΔH_f, kcal/mol:	-49.82
Dipole, Da:	4.57
IP(EA), eV:	-9.35(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-2-[[(4-ethyl-1,3-thiazol-2-yl)amino]methyl]butan-1-ol

Drug info:

PubChemData

Smile

CCC(CC)(CNC1=CC(=NC(=N1)C)Cl)CO

DOS

IR

Vibrations