Geometry & MOs

Info

ID:

309918

PubChem CID:

126567013

Reduced:

F3N3O4H14C21 (1)

Stoich.:

A3B3C4D14E21 (1)

Weight, g/mol:

630.311853

ΔHf, kcal/mol:

-215.1

Dipole, Da:

6.73

IP(EA), eV:

 -9.17(-1.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3Z)-3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]indol-2-ylidene]-5-[5-(2-pyrrolidin-1-ylethoxy)pyridin-3-yl]-1,2-dihydroindazole

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)OC(F)(F)F)CNC2=NC=C(C=C2)C3=NC4=C(O3)C=C(C=C4)C(=O)O

DOS

IR

Vibrations