Geometry & MOs

Info

ID:	159706
PubChem CID:	57288649
Reduced:	ON3C24H33 (1)
Stoich.:	AB3C24D33 (1)
Weight, g/mol:	234.147593
ΔH_f, kcal/mol:	-22.68
Dipole, Da:	4.32
IP(EA), eV:	-8.59(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dodecane-1,5-dithiol

Drug info:

PubChemData

Smile

CCC(=O)N(C1CCN(CC1)CC(C2=C(C=CC=C2C)C)N)C3=CC=CC=C3

DOS

IR

Vibrations