Geometry & MOs

Info

ID:

442214

PubChem CID:

135250627

Reduced:

N7H51C53 (1)

Stoich.:

A7B51C53 (1)

Weight, g/mol:

635.326026

ΔHf, kcal/mol:

205.85

Dipole, Da:

4.52

IP(EA), eV:

 -8.51(-1.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4,4,5,5-tetramethyl-2-[3-[4-(4-phenylphenyl)-6-[3-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1,3-oxazole

Drug info:

PubChemData

Smile

CC1(C(N(C(=N1)C2=CC=CC=C2)C3=CC=CC(=C3)C4=NC(=NC(=N4)C5=CC=C(C=C5)C6=CC=CC=C6)C7=CC(=CC=C7)N8C(=NC(C8(C)C)(C)C)C9=CC=CC=C9)(C)C)C

DOS

IR

Vibrations