Geometry & MOs

Info

ID:

52438

PubChem CID:

12015301

Reduced:

NO2H20C22 (2)

Stoich.:

AB2C20D22 (2)

Weight, g/mol:

628.308979

ΔHf, kcal/mol:

19.62

Dipole, Da:

3.04

IP(EA), eV:

 -8.73(-1.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCOC1=CC(=C(C=C1/C=C/C2=CC=C(C=C2)C3=NC4=CC=CC=C4O3)OCCCC)/C=C/C5=CC=C(C=C5)C6=NC7=CC=CC=C7O6

DOS

IR

Vibrations