Geometry & MOs

Info

ID:	146313
PubChem CID:	53669148
Reduced:	OC11H16 (2)
Stoich.:	AB11C16 (2)
Weight, g/mol:	330.241494
ΔH_f, kcal/mol:	-107.3
Dipole, Da:	3.97
IP(EA), eV:	-8.31(0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4,8,12-trimethyltridecyl)dithiolane

Drug info:

PubChemData

Smile

CCCOC1=CC2=CC[C@H]3[C@@H]4CCC(=O)[C@]4(CC[C@@H]3[C@]2(CC1)C)C

DOS

IR

Vibrations