Geometry & MOs

Info

ID:	264410
PubChem CID:	103459707
Reduced:	ClN2O2C13H23 (1)
Stoich.:	AB2C2D13E23 (1)
Weight, g/mol:	257.14495
ΔH_f, kcal/mol:	-99.73
Dipole, Da:	1.76
IP(EA), eV:	-9.53(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-ethylhexane-2,3-diol

Drug info:

PubChemData

Smile

CCC(CC)C(C(C1=C(C=NN1C(C)C)Cl)O)O

DOS

IR

Vibrations