Geometry & MOs

Info

ID:

442245

PubChem CID:

135250795

Reduced:

ON3C11H11 (3)

Stoich.:

AB3C11D11 (3)

Weight, g/mol:

651.202106

ΔHf, kcal/mol:

66.47

Dipole, Da:

2.46

IP(EA), eV:

 -9.9(-1.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[6-[4,6-bis[5-(4,4-dimethyl-5H-1,3-thiazol-2-yl)pyridin-2-yl]-1,3,5-triazin-2-yl]pyridin-3-yl]-4,4-dimethyl-5H-1,3-thiazole

Drug info:

PubChemData

Smile

CC1(COC(=N1)C2=CN=C(C=C2)C3=NC(=NC(=N3)C4=NC=C(C=C4)C5=NC(CO5)(C)C)C6=NC=C(C=C6)C7=NC(CO7)(C)C)C

DOS

IR

Vibrations