Geometry & MOs

Info

ID:

442241

PubChem CID:

135250779

Reduced:

N3C20H21 (3)

Stoich.:

A3B20C21 (3)

Weight, g/mol:

600.284889

ΔHf, kcal/mol:

207.8

Dipole, Da:

3.82

IP(EA), eV:

 -8.53(-1.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-[4,6-bis[3-(5,5-dimethyl-4H-1,3-oxazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-5,5-dimethyl-4H-1,3-oxazole

Drug info:

PubChemData

Smile

CC1(C(N(C(=N1)C2=CC=C(C=C2)C3=NC(=NC(=N3)C4=CC=C(C=C4)C5=NC(C(N5C6=CC=CC=C6)(C)C)(C)C)C7=CC=C(C=C7)C8=NC(C(N8C9=CC=CC=C9)(C)C)(C)C)C1=CC=CC=C1)(C)C)C

DOS

IR

Vibrations