Geometry & MOs

Info

ID:	159298
PubChem CID:	57269508
Reduced:	SO2C35H42 (1)
Stoich.:	AB2C35D42 (1)
Weight, g/mol:	372.302831
ΔH_f, kcal/mol:	-64.78
Dipole, Da:	1.88
IP(EA), eV:	-8.54(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-methylbutyl)-3-(4-octoxyphenyl)cyclohexan-1-one

Drug info:

PubChemData

Smile

CCCC(CC)SCCC1=CC=C(C=C1)CCCCCC2=C(C=CC3=C2C=CC(=C3)O)C4=CC=C(C=C4)O

DOS

IR

Vibrations