Geometry & MOs

Info

ID:	1259
PubChem CID:	4056
Reduced:	O2C31H40 (1)
Stoich.:	A2B31C40 (1)
Weight, g/mol:	444.302831
ΔH_f, kcal/mol:	-50.26
Dipole, Da:	4.01
IP(EA), eV:	-8.92(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-3-(3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl)naphthalene-1,4-dione

Drug info:

PubChemData

Smile

CC1=C(C(=O)C2=CC=CC=C2C1=O)CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C

DOS

IR

Vibrations