Geometry & MOs

Info

ID:

442522

PubChem CID:

135252655

Reduced:

N4H19C29 (2)

Stoich.:

A4B19C29 (2)

Weight, g/mol:

590.221895

ΔHf, kcal/mol:

331.19

Dipole, Da:

1.95

IP(EA), eV:

 -8.09(-1.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-methyl-3-[4-(1,5-naphthyridin-4-yl)phenyl]-9-(4-pyrido[2,3-d]pyridazin-3-ylphenyl)carbazole

Drug info:

PubChemData

Smile

CC1=CC(=CC2=C1N(C3=CC=CC=C32)C4=CC=C(C=C4)C5=C6C(=NC=C5)C=CC=N6)C7=NN=C(C=C7)C8=CC9=C(C(=C8)C)N(C1=CC=CC=C19)C1=CC=C(C=C1)C1=C2C(=NC=C1)C=CC=N2

DOS

IR

Vibrations