Geometry & MOs

Info

ID:	10024
PubChem CID:	96478
Reduced:	ClOC11H15 (1)
Stoich.:	ABC11D15 (1)
Weight, g/mol:	198.081143
ΔH_f, kcal/mol:	-51.61
Dipole, Da:	1.43
IP(EA), eV:	-8.83(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chlorobutoxy)-3-methylbenzene

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)OCCCCCl

DOS

IR

Vibrations