Geometry & MOs

Info

ID:	53596
PubChem CID:	14716864
Reduced:	O3C13H17 (2)
Stoich.:	A3B13C17 (2)
Weight, g/mol:	430.28718
ΔH_f, kcal/mol:	-243.5
Dipole, Da:	5.32
IP(EA), eV:	-9.44(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-hexoxy-4-[4-[(4-pentylphenoxy)methyl]phenyl]benzene

Drug info:

PubChemData

Smile

CCCCCCOC(=O)C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)OCCOCCCC

DOS

IR

Vibrations