Geometry & MOs

Info

ID:	159297
PubChem CID:	57269506
Reduced:	OC14H16 (2)
Stoich.:	AB14C16 (2)
Weight, g/mol:	526.290552
ΔH_f, kcal/mol:	-80.09
Dipole, Da:	3.87
IP(EA), eV:	-8.54(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[5-[4-(2-hexan-3-ylsulfanylethyl)phenyl]pentyl]-6-(4-hydroxyphenyl)naphthalen-2-ol

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=C(C=C1)C2=CC3=CC4=C(C=C3C(=C2)C)C(CCC4(C)C)(C)C

DOS

IR

Vibrations