Geometry & MOs

Info

ID:

442157

PubChem CID:

135250173

Reduced:

O2N5H35C42 (1)

Stoich.:

A2B5C35D42 (1)

Weight, g/mol:

697.341676

ΔHf, kcal/mol:

88.7

Dipole, Da:

3.14

IP(EA), eV:

 -8.2(-1.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4,4,5,5-tetramethyl-2-[6-[11-phenyl-3-[5-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)pyridin-2-yl]benzo[a]carbazol-9-yl]pyridin-3-yl]-1,3-oxazole

Drug info:

PubChemData

Smile

CC1(CN=C(O1)C2=CN=C(C=C2)C3=CC4=C(C=C3)C5=C(C=C4)C6=C(N5C7=CC=CC=C7)C=C(C=C6)C8=NC=C(C=C8)C9=NCC(O9)(C)C)C

DOS

IR

Vibrations