Geometry & MOs

Info

ID:

448239

PubChem CID:

135289532

Reduced:

N10H26C27 (1)

Stoich.:

A10B26C27 (1)

Weight, g/mol:

613.234999

ΔHf, kcal/mol:

229.0

Dipole, Da:

4.47

IP(EA), eV:

 -8.6(-2.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[(3Z)-3-[7-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]imidazo[4,5-b]pyridin-2-ylidene]-1,2-dihydropyrazolo[4,3-b]pyridin-5-yl]pyridin-3-yl]benzamide

Drug info:

PubChemData

Smile

CC1=CN(C=N1)C2=CC=NC3=N/C(=C\4/C5=C(C=CC(=N5)C6=CN=CC(=C6)CN7CCCCC7)NN4)/N=C23

DOS

IR

Vibrations