Geometry & MOs

Info

ID:	304055
PubChem CID:	124491777
Reduced:	BrOC11H15 (1)
Stoich.:	ABC11D15 (1)
Weight, g/mol:	243.99213
ΔH_f, kcal/mol:	-37.05
Dipole, Da:	1.71
IP(EA), eV:	-9.55(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-bromo-4-[(1S)-1-methylsulfanylpropyl]benzene

Drug info:

PubChemData

Smile

CCCO[C@H](C)C1=CC=C(C=C1)Br

DOS

IR

Vibrations