Geometry & MOs

Info

ID:

449142

PubChem CID:

135296309

Reduced:

FN5H28C35 (1)

Stoich.:

AB5C28D35 (1)

Weight, g/mol:

547.249587

ΔHf, kcal/mol:

152.25

Dipole, Da:

3.03

IP(EA), eV:

 -8.33(-1.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[(3Z)-3-[4-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]indol-2-ylidene]-1,2-dihydroindazol-5-yl]pyridin-3-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)F)C2=CC=CC3=N/C(=C\4/C5=C(C=CC(=C5)C6=CN=CC(=C6)CNCC7=CC=CC=C7)NN4)/C=C32

DOS

IR

Vibrations