Geometry & MOs

Info

ID:

380018

PubChem CID:

134964490

Reduced:

BrPO2C9H11 (1)

Stoich.:

ABC2D9E11 (1)

Weight, g/mol:

255.053158

ΔHf, kcal/mol:

-78.48

Dipole, Da:

1.08

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.759705

Charge, e:

 0

Chem-info

IUPAC name:

1-nitro-4a,9a-dihydroanthracene-9,10-dione

Drug info:

PubChemData

Smile

CCO[P+](=O)CC1=CC=CC=C1Br

DOS

IR

Vibrations