Geometry & MOs

Info

ID:

442215

PubChem CID:

135250628

Reduced:

O2N5C41H41 (1)

Stoich.:

A2B5C41D41 (1)

Weight, g/mol:

579.263425

ΔHf, kcal/mol:

53.66

Dipole, Da:

2.06

IP(EA), eV:

 -9.33(-1.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(C(OC(=N1)C2=CC=CC(=C2)C3=NC(=NC(=N3)C4=CC=C(C=C4)C5=CC=CC=C5)C6=CC(=CC=C6)C7=NC(C(O7)(C)C)(C)C)(C)C)C

DOS

IR

Vibrations