Geometry & MOs

Info

ID:

442224

PubChem CID:

135250671

Reduced:

NOC15H17 (3)

Stoich.:

ABC15D17 (3)

Weight, g/mol:

513.205242

ΔHf, kcal/mol:

-56.63

Dipole, Da:

3.36

IP(EA), eV:

 -9.15(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-[3,5-bis[3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]phenyl]phenyl]-4,5-dihydro-1,3-oxazole

Drug info:

PubChemData

Smile

CC1(C(OC(=N1)C2=CC=CC(=C2)C3=CC(=CC(=C3)C4=CC(=CC=C4)C5=NC(C(O5)(C)C)(C)C)C6=CC(=CC=C6)C7=NC(C(O7)(C)C)(C)C)(C)C)C

DOS

IR

Vibrations