Geometry & MOs

Info

ID:

442228

PubChem CID:

135250687

Reduced:

N9C55H61 (1)

Stoich.:

A9B55C61 (1)

Weight, g/mol:

600.284889

ΔHf, kcal/mol:

175.02

Dipole, Da:

2.77

IP(EA), eV:

 -8.6(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations