Geometry & MOs

Info

ID:	402600
PubChem CID:	135056505
Reduced:	BOF3C9H11 (1)
Stoich.:	ABC3D9E11 (1)
Weight, g/mol:	247.103085
ΔH_f, kcal/mol:	-280.79
Dipole, Da:	6.85
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.766818
Charge, e:	0

Chem-info

IUPAC name:

4-butyl-2-(4-methoxyphenyl)-1,3-thiazole

Drug info:

PubChemData

Smile

[B-](O[C@@H](C)CC1=CC=CC=C1)(F)(F)F

DOS

IR

Vibrations