Geometry & MOs

Info

ID:	53561
PubChem CID:	14716644
Reduced:	NO5C10H15 (1)
Stoich.:	AB5C10D15 (1)
Weight, g/mol:	532.35526
ΔH_f, kcal/mol:	-168.85
Dipole, Da:	4.09
IP(EA), eV:	-10.5(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-octoxy-4-[4-[[4-(4-propoxypentan-2-yloxy)phenoxy]methyl]phenyl]benzene

Drug info:

PubChemData

Smile

C1CC(=O)N(C1=O)CCCCCC(=O)OO

DOS

IR

Vibrations