Geometry & MOs

Info

ID:

437257

PubChem CID:

135219211

Reduced:

F2O2N3H27C36 (1)

Stoich.:

A2B2C3D27E36 (1)

Weight, g/mol:

439.153206

ΔHf, kcal/mol:

-46.29

Dipole, Da:

6.99

IP(EA), eV:

 -9.26(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5,7-dioxo-6-[(4-phenyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl)methyl]cyclopenta[b]pyrazine-3-carboxylic acid

Drug info:

PubChemData

Smile

C1C2=C(CC3=C1C=CC(=C3)C(=O)NCC4=CC=C(C=C4)C(=NC(=O)C5=CC=CC=C5)N)C=C(C=C2)C6=C(C=C(C=C6)F)F

DOS

IR

Vibrations