Geometry & MOs

Info

ID:	310309
PubChem CID:	126578420
Reduced:	OC15H26 (2)
Stoich.:	AB15C26 (2)
Weight, g/mol:	478.384452
ΔH_f, kcal/mol:	-137.95
Dipole, Da:	1.58
IP(EA), eV:	-9.3(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4,4-dimethyl-1-(15-methylsulfanylpentadecoxy)pentan-2-yl]oxymethylbenzene

Drug info:

PubChemData

Smile

CCCCCCCC1CC1CCCCCCOCC(CC(C)(C)C)OCC2=CC=CC=C2

DOS

IR

Vibrations