Geometry & MOs

Info

ID:	8120
PubChem CID:	75038
Reduced:	OC23H32 (2)
Stoich.:	AB23C32 (2)
Weight, g/mol:	648.490631
ΔH_f, kcal/mol:	-67.98
Dipole, Da:	1.9
IP(EA), eV:	-8.88(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaenyl)-3-methylnaphthalene-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)CCC=C(C)CCC=C(C)CCC=C(C)C

DOS

IR

Vibrations