Geometry & MOs

Info

ID:

52436

PubChem CID:

12015299

Reduced:

NO2H14C19 (2)

Stoich.:

AB2C14D19 (2)

Weight, g/mol:

604.236208

ΔHf, kcal/mol:

52.74

Dipole, Da:

3.11

IP(EA), eV:

 -8.44(-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-diethoxyphenyl]ethenyl]phenyl]-1,3-benzoxazole

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1/C=C/C2=CC=C(C=C2)C3=NC4=CC=CC=C4O3)OC)/C=C/C5=CC=C(C=C5)C6=NC7=CC=CC=C7O6

DOS

IR

Vibrations