Geometry & MOs

Info

ID:	159475
PubChem CID:	57288122
Reduced:	O2N4C19H24 (1)
Stoich.:	A2B4C19D24 (1)
Weight, g/mol:	605.321735
ΔH_f, kcal/mol:	-21.94
Dipole, Da:	6.25
IP(EA), eV:	-9.96(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-bis(2-octylsulfanylethylsulfanylmethyl)-2,3-dihydrobenzo[de]quinoline

Drug info:

PubChemData

Smile

CCC(=O)CCC(C1=CN=CN=C1)C(C)C(=O)CCC2=CN=CN=C2

DOS

IR

Vibrations