Geometry & MOs

Info

ID:	232587
PubChem CID:	87576470
Reduced:	PO4C8H18 (1)
Stoich.:	AB4C8D18 (1)
Weight, g/mol:	398.13068
ΔH_f, kcal/mol:	-197.61
Dipole, Da:	3.28
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.761071
Charge, e:	0

Chem-info

IUPAC name:

2-benzo[a]anthracen-1-yl-3-methylnaphthalene-1,4-dione

Drug info:

PubChemData

Smile

CCCCCOCC=C.O[P+](=O)O

DOS

IR

Vibrations