Geometry & MOs

Info

ID:	372939
PubChem CID:	131307236
Reduced:	ClSO2C11H11 (1)
Stoich.:	ABC2D11E11 (1)
Weight, g/mol:	261.97601
ΔH_f, kcal/mol:	-60.25
Dipole, Da:	1.81
IP(EA), eV:	-8.55(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-bromopropyl)-2-(chloromethyl)phenol

Drug info:

PubChemData

Smile

CCOC1=C(C2=C(S1)C=C(C=C2)CO)Cl

DOS

IR

Vibrations