Geometry & MOs

Info

ID:

448160

PubChem CID:

135288899

Reduced:

FON6H27C31 (1)

Stoich.:

ABC6D27E31 (1)

Weight, g/mol:

496.182316

ΔHf, kcal/mol:

105.13

Dipole, Da:

9.2

IP(EA), eV:

 -8.36(-1.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2Z)-2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-1,2-dihydroindazol-3-ylidene]-4-(furan-3-yl)pyrrolo[3,2-c]pyridine

Drug info:

PubChemData

Smile

C1CCN(C1)CCOC2=CC(=CC(=C2)C3=NC=CC4=N/C(=C\5/C6=C(C=CC(=C6)C7=CC=CC=N7)NN5)/C=C43)F

DOS

IR

Vibrations