Geometry & MOs

Info

ID:	158921
PubChem CID:	57244209
Reduced:	O5C11H12 (1)
Stoich.:	A5B11C12 (1)
Weight, g/mol:	388.334131
ΔH_f, kcal/mol:	-185.15
Dipole, Da:	4.35
IP(EA), eV:	-8.85(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-butoxy-4-[3-(2-heptylcyclohexyl)propoxy]benzene

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1O)O)OC(=O)CCCC=O

DOS

IR

Vibrations