Geometry & MOs

Info

ID:

443000

PubChem CID:

135257353

Reduced:

SN3H37C47 (1)

Stoich.:

AB3C37D47 (1)

Weight, g/mol:

673.284161

ΔHf, kcal/mol:

184.31

Dipole, Da:

1.55

IP(EA), eV:

 -7.79(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydro-1,8-naphthyridin-4-yl)phenyl]-2-[4-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]benzene-1,3-dicarbonitrile

Drug info:

PubChemData

Smile

C1CNC2C(C1C3=CC=C(C=C3)C4=CC=C(C=C4)N5C6=C(C=C(C=C6)N(C7=CC=CC=C7)C8=CC=CC=C8)C9=CC=CC=C95)C1=CC=CC=C1S2

DOS

IR

Vibrations