Geometry & MOs

Info

ID:

442557

PubChem CID:

135252958

Reduced:

O2N6H40C45 (1)

Stoich.:

A2B6C40D45 (1)

Weight, g/mol:

1116.476713

ΔHf, kcal/mol:

129.31

Dipole, Da:

1.66

IP(EA), eV:

 -8.22(-0.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[7,7-dimethyl-5-[4-phenyl-6-[3-[3-phenyl-5-[3-(2,4,6-trimethyl-3,5-diphenylphenyl)phenyl]phenyl]phenyl]-1,3,5-triazin-2-yl]indeno[2,1-b]carbazol-3-yl]-phenylmethanone

Drug info:

PubChemData

Smile

C/C=C\C1=C(C2=C(N1C3=CN=C(C=C3)C4=NCC(O4)(C)C)C=CC(=C2)C5=CC6=C(C=C5)N(C7=CC=CC=C76)C8=CN=C(C=C8)C9=NC(CO9)(C)C)C=C

DOS

IR

Vibrations