Geometry & MOs

Info

ID:

448186

PubChem CID:

135289087

Reduced:

ON3H12C14 (2)

Stoich.:

AB3C12D14 (2)

Weight, g/mol:

629.327837

ΔHf, kcal/mol:

101.52

Dipole, Da:

11.6

IP(EA), eV:

 -8.32(-1.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-cyclopentyl-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]methanamine

Drug info:

PubChemData

Smile

CC(C)CC(=O)NC1=CN=CC(=C1)C2=CC\3=C(C=C2)NN/C3=C\4/C=C5C(=N4)C=CN=C5C6=COC=C6

DOS

IR

Vibrations