Geometry & MOs

Info

ID:

447971

PubChem CID:

135287245

Reduced:

F2O2N5H21C25 (1)

Stoich.:

A2B2C5D21E25 (1)

Weight, g/mol:

522.296791

ΔHf, kcal/mol:

-8.57

Dipole, Da:

8.45

IP(EA), eV:

 -9.86(-1.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-cyclopentyl-N-[[5-[(3Z)-3-[7-(4-methylpiperazin-1-yl)imidazo[4,5-c]pyridin-2-ylidene]-1,2-dihydropyrazolo[4,3-b]pyridin-5-yl]pyridin-3-yl]methyl]methanamine

Drug info:

PubChemData

Smile

CC1([C@H]2CC[C@]1(C3=NN=C(C=C23)C4=C(C=CC=C4F)F)C5=CC=CC(=N5)C6=NN=C(O6)CO)C

DOS

IR

Vibrations