Geometry & MOs

Info

ID:

431739

PubChem CID:

135171843

Reduced:

BrFPN6O7H27C28 (1)

Stoich.:

ABCD6E7F27G28 (1)

Weight, g/mol:

593.21435

ΔHf, kcal/mol:

-290.78

Dipole, Da:

9.2

IP(EA), eV:

 -8.84(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-(4-fluoranthen-7-ylphenyl)-9-azahexacyclo[15.8.0.02,10.03,8.011,16.018,23]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene

Drug info:

PubChemData

Smile

CC1=NC=C(C=N1)C2=C(C=C3C(=C2)C(=CN3CC(=O)N4C[C@@H](C[C@H]4C(=O)NC5=NC(=CC=C5)Br)F)C(=O)C)OCP(=O)(O)O

DOS

IR

Vibrations