Geometry & MOs

Info

ID:

319955

PubChem CID:

126657671

Reduced:

N2O2H52C75 (1)

Stoich.:

A2B2C52D75 (1)

Weight, g/mol:

455.153286

ΔHf, kcal/mol:

253.46

Dipole, Da:

2.29

IP(EA), eV:

 -7.38(-0.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[10-(dimethylamino)-5-fluoro-3-oxobenzo[c]xanthen-7-yl]-4,5-dimethylbenzoic acid

Drug info:

PubChemData

Smile

CC1=C(C2=C(C=C1)C3=C(C(=CC(=C3O2)C4=CC=CC=C4)/C=C\C=C)C)N(C5=CC=CC=C5)C6=C7C=CC8=C9C7=C(C=CC9=C(C=C8)N(C1=CC=CC=C1)C1=C(C=CC2=C1OC1=C2C2=CC=CC=C2C=C1C1=CC=CC=C1)C)C=C6

DOS

IR

Vibrations