Geometry & MOs

Info

ID:	162647
PubChem CID:	57410905
Reduced:	NO4C19H25 (1)
Stoich.:	AB4C19D25 (1)
Weight, g/mol:	274.102751
ΔH_f, kcal/mol:	-129.82
Dipole, Da:	4.03
IP(EA), eV:	-8.58(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hexylsulfanylnaphthalene-1,4-dione

Drug info:

PubChemData

Smile

CCCCCCCNC1=CC(=O)C2=C(C=CC(=C2C1=O)OC)OC

DOS

IR

Vibrations