Geometry & MOs

Info

ID:

442192

PubChem CID:

135250425

Reduced:

O2N4H40C49 (1)

Stoich.:

A2B4C40D49 (1)

Weight, g/mol:

574.262028

ΔHf, kcal/mol:

126.68

Dipole, Da:

0.48

IP(EA), eV:

 -8.69(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-[4-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]triphenylen-1-yl]phenyl]-4,4-dimethyl-5H-1,3-oxazole

Drug info:

PubChemData

Smile

CC1(COC(=N1)C2=NC=C(C=C2)C3=CC4=C(C=C3)C5=C(C=C4)C6=C(C5(C7=CC=CC=C7)C8=CC=CC=C8)C=C(C=C6)C9=CN=C(C=C9)C1=NC(CO1)(C)C)C

DOS

IR

Vibrations