Geometry & MOs

Info

ID:	387679
PubChem CID:	134986423
Reduced:	O3C13H24 (1)
Stoich.:	A3B13C24 (1)
Weight, g/mol:	264.014242
ΔH_f, kcal/mol:	-171.19
Dipole, Da:	1.85
IP(EA), eV:	-9.4(1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-chloro-4-(2-chloro-2-methoxybutyl)sulfanylbenzene

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@@]2(CCCCO2)O[C@@H]1[C@@H](C)CO

DOS

IR

Vibrations