Geometry & MOs

Info

ID:

448212

PubChem CID:

135289283

Reduced:

N3H8C12 (2)

Stoich.:

A3B8C12 (2)

Weight, g/mol:

575.280887

ΔHf, kcal/mol:

210.39

Dipole, Da:

11.11

IP(EA), eV:

 -8.49(-1.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[[5-[(3Z)-3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]pyrrolo[3,2-c]pyridin-2-ylidene]-1,2-dihydroindazol-5-yl]pyridin-3-yl]methyl]ethanamine

Drug info:

PubChemData

Smile

C1=CC(=CN=C1)C2=CC\3=C(C=C2)NN/C3=C\4/C=C5C(=N4)C=CN=C5C6=CN=CC=C6

DOS

IR

Vibrations