Geometry & MOs

Info

ID:	249643
PubChem CID:	103091082
Reduced:	BrOC6H7 (2)
Stoich.:	ABC6D7 (2)
Weight, g/mol:	268.124549
ΔH_f, kcal/mol:	-57.6
Dipole, Da:	2.81
IP(EA), eV:	-9.12(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)but-3-en-2-ol

Drug info:

PubChemData

Smile

CC(/C(=C\C1=C(C(=CC(=C1)Br)Br)OC)/C)O

DOS

IR

Vibrations