Geometry & MOs

Info

ID:	190074
PubChem CID:	77950121
Reduced:	NO6C26H31 (1)
Stoich.:	AB6C26D31 (1)
Weight, g/mol:	226.09938
ΔH_f, kcal/mol:	-184.25
Dipole, Da:	4.06
IP(EA), eV:	-8.71(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-but-2-en-2-yl-3-methylnaphthalene-1,4-dione

Drug info:

PubChemData

Smile

CC1=C2C=COC2=C(C(=C1C(=O)C)OCCN3CCOCC3)OCC(CC4=CC=CC=C4)O

DOS

IR

Vibrations