Geometry & MOs

Info

ID:

219509

PubChem CID:

85148776

Reduced:

NO13C22H33 (1)

Stoich.:

AB13C22D33 (1)

Weight, g/mol:

519.191997

ΔHf, kcal/mol:

-587.24

Dipole, Da:

5.1

IP(EA), eV:

 -9.21(0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

2-[[3-[(3-methyl-5-phenyl-1,3-oxazol-2-ylidene)methyl]-2,4-dioxocyclobutylidene]methyl]-4-[(1,3,3-trimethylindol-1-ium-2-yl)methylidene]cyclobutane-1,3-dione

Drug info:

PubChemData

Smile

CC(=O)OCC1C(C(C(C(O1)OC2C(CN3CCC(C3C2O)O)O)OC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations