Geometry & MOs

Info

ID:

442211

PubChem CID:

135250590

Reduced:

ON3H16C18 (2)

Stoich.:

AB3C16D18 (2)

Weight, g/mol:

580.258674

ΔHf, kcal/mol:

87.09

Dipole, Da:

5.55

IP(EA), eV:

 -9.35(-1.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[6-[6-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)pyridin-2-yl]-2-(4-phenylphenyl)pyrimidin-4-yl]pyridin-3-yl]-4,4-dimethyl-5H-1,3-oxazole

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations