Geometry & MOs

Info

ID:

444189

PubChem CID:

135261620

Reduced:

SN5H17C24 (1)

Stoich.:

AB5C17D24 (1)

Weight, g/mol:

602.291786

ΔHf, kcal/mol:

199.33

Dipole, Da:

4.34

IP(EA), eV:

 -8.42(-1.84)

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-dihydropyrazolo[3,4-b]pyridin-5-yl]pyridin-3-yl]cyclopentanecarboxamide

Drug info:

PubChemData

Smile

CC1=C(C=NC=C1)C2=CC\3=C(NN/C3=C\4/C=C5C(=N4)C=CC=C5C6=CSC=C6)N=C2

DOS

IR

Vibrations