Geometry & MOs

Info

ID:	268837
PubChem CID:	103601179
Reduced:	BrOC17H19 (1)
Stoich.:	ABC17D19 (1)
Weight, g/mol:	286.0027
ΔH_f, kcal/mol:	-10.73
Dipole, Da:	2.91
IP(EA), eV:	-8.71(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-bromophenyl)methylsulfanylmethyl]oxolane

Drug info:

PubChemData

Smile

CCC(C)C1=CC=C(C=C1)OCC2=CC(=CC=C2)Br

DOS

IR

Vibrations