Geometry & MOs

Info

ID:

449400

PubChem CID:

135298292

Reduced:

N5H37C54 (1)

Stoich.:

A5B37C54 (1)

Weight, g/mol:

590.247047

ΔHf, kcal/mol:

269.46

Dipole, Da:

1.0

IP(EA), eV:

 -8.21(-0.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[4-[2-(9,9-dimethylfluoren-1-yl)-6-phenylpyrimidin-4-yl]phenyl]pyrido[4,3-b]indole

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C(C=CC=C31)C4=NC(=NC(=N4)C5=C6C7=CC=CC=C7N(C6=CC=C5)C8=CC=CC=C8)C9=C1C2=CC=CC=C2N(C1=CC=C9)C1=CC=CC=C1)C

DOS

IR

Vibrations