Geometry & MOs

Info

ID:	279636
PubChem CID:	103844534
Reduced:	BrO3C16H17 (1)
Stoich.:	AB3C16D17 (1)
Weight, g/mol:	277.11365
ΔH_f, kcal/mol:	-82.7
Dipole, Da:	4.27
IP(EA), eV:	-8.8(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanol

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)Br)COC2=CC=C(C=C2)CCO

DOS

IR

Vibrations