Geometry & MOs

Info

ID:

309060

PubChem CID:

126535777

Reduced:

FON7H26C27 (1)

Stoich.:

ABC7D26E27 (1)

Weight, g/mol:

496.244756

ΔHf, kcal/mol:

97.56

Dipole, Da:

6.44

IP(EA), eV:

 -8.4(-1.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=NC=C1)C2=C/C(=C/3\N=C4C(=CC=NC4=N3)C5=CC(=CC(=C5)F)OCCN6CCCC6)/NN2

DOS

IR

Vibrations