Geometry & MOs

Info

ID:

52437

PubChem CID:

12015300

Reduced:

NO2H16C20 (2)

Stoich.:

AB2C16D20 (2)

Weight, g/mol:

660.298808

ΔHf, kcal/mol:

38.08

Dipole, Da:

4.76

IP(EA), eV:

 -8.53(-1.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-[(E)-2-[4-[(E)-2-[4-(1,3-benzoxazol-2-yl)phenyl]ethenyl]-2,5-dibutoxyphenyl]ethenyl]phenyl]-1,3-benzoxazole

Drug info:

PubChemData

Smile

CCOC1=CC(=C(C=C1/C=C/C2=CC=C(C=C2)C3=NC4=CC=CC=C4O3)OCC)/C=C/C5=CC=C(C=C5)C6=NC7=CC=CC=C7O6

DOS

IR

Vibrations