Geometry & MOs

Info

ID:

311711

PubChem CID:

126596903

Reduced:

FN4O5C31H31 (1)

Stoich.:

AB4C5D31E31 (1)

Weight, g/mol:

551.163377

ΔHf, kcal/mol:

-179.43

Dipole, Da:

4.39

IP(EA), eV:

 -9.21(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

18-(2-carbazol-9-yl-6-cyanophenyl)-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),6,11,15(20),16,18-octaene-5-carbonitrile

Drug info:

PubChemData

Smile

C[C@@H]1CCC[C@@H](C2=NC=CC(=C2)C3=C(C=C(C=C3)NC(=O)O)NC1=O)N4CCC(=CC4=O)C5=C(C(=CC=C5)OC)F

DOS

IR

Vibrations