Geometry & MOs

Info

ID:

448208

PubChem CID:

135289261

Reduced:

FON7H24C27 (1)

Stoich.:

ABC7D24E27 (1)

Weight, g/mol:

545.233937

ΔHf, kcal/mol:

118.31

Dipole, Da:

8.85

IP(EA), eV:

 -8.44(-1.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[(3Z)-3-[4-(3-fluorophenyl)pyrrolo[3,2-c]pyridin-2-ylidene]-1,2-dihydroindazol-5-yl]pyridin-3-yl]-2-piperidin-4-ylacetamide

Drug info:

PubChemData

Smile

CN(C)CCOC1=CC(=CC(=C1)C2=NC=CC3=N/C(=C\4/C5=C(C=CC(=C5)C6=CNN=C6)NN4)/C=C32)F

DOS

IR

Vibrations