Geometry & MOs

Info

ID:

442182

PubChem CID:

135250308

Reduced:

ON3H22C28 (2)

Stoich.:

AB3C22D28 (2)

Weight, g/mol:

680.289974

ΔHf, kcal/mol:

167.36

Dipole, Da:

0.96

IP(EA), eV:

 -8.07(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[6-[3-[9-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)pyridin-2-yl]carbazol-3-yl]carbazol-9-yl]pyridin-3-yl]-4,4-dimethyl-5H-1,3-oxazole

Drug info:

PubChemData

Smile

CC1(COC(=N1)C2=NC=C(C=C2)C3=CC4=C(C=C3)N(C5=C4C=C(C=C5)C6=CC7=C(C=C6)N(C8=C7C=C(C=C8)C9=CN=C(C=C9)C1=NC(CO1)(C)C)C1=CC=CC=C1)C1=CC=CC=C1)C

DOS

IR

Vibrations