Geometry & MOs

Info

ID:	204677
PubChem CID:	79996504
Reduced:	BrOSN3C13H18 (1)
Stoich.:	ABCD3E13F18 (1)
Weight, g/mol:	274.0027
ΔH_f, kcal/mol:	20.33
Dipole, Da:	4.4
IP(EA), eV:	-9.09(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-bromo-4-methylthiophen-2-yl)-2-propylcyclopropan-1-ol

Drug info:

PubChemData

Smile

CCCNCCCC1=NN=C(O1)C2=CC(=C(S2)Br)C

DOS

IR

Vibrations