Geometry & MOs

Info

ID:	249640
PubChem CID:	103091077
Reduced:	ON2C10H16 (1)
Stoich.:	AB2C10D16 (1)
Weight, g/mol:	259.98705
ΔH_f, kcal/mol:	-18.71
Dipole, Da:	3.69
IP(EA), eV:	-9.48(0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-bromo-5-methylthiophen-2-yl)-3-methylbut-3-en-2-ol

Drug info:

PubChemData

Smile

CCN1C(=CC=N1)/C=C(/C)\C(C)O

DOS

IR

Vibrations