Geometry & MOs

Info

ID:

442199

PubChem CID:

135250495

Reduced:

N3C19H22 (2)

Stoich.:

A3B19C22 (2)

Weight, g/mol:

626.268176

ΔHf, kcal/mol:

96.16

Dipole, Da:

2.81

IP(EA), eV:

 -8.47(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[5-[9-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)pyridin-3-yl]benzo[b]triphenylen-14-yl]pyridin-2-yl]-4,4-dimethyl-5H-1,3-oxazole

Drug info:

PubChemData

Smile

CC1=NC(C(N1C2=CC=C(C=C2)C3=CC(=NC(=N3)C4=CC=CC=C4)C5=CC=C(C=C5)N6C(=NC(C6(C)C)(C)C)C)(C)C)(C)C

DOS

IR

Vibrations