Geometry & MOs

Info

ID:

448106

PubChem CID:

135288526

Reduced:

N10H20C23 (1)

Stoich.:

A10B20C23 (1)

Weight, g/mol:

605.266299

ΔHf, kcal/mol:

241.57

Dipole, Da:

12.8

IP(EA), eV:

 -8.55(-2.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[(3Z)-3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]imidazo[4,5-c]pyridin-2-ylidene]-1,2-dihydropyrazolo[4,3-b]pyridin-5-yl]pyridin-3-yl]-2-methylpropanamide

Drug info:

PubChemData

Smile

CC1=CN(C=N1)C2=NC=CC3=N/C(=C/4\C5=C(C=CC(=N5)C6=CC(=CN=C6)N(C)C)NN4)/N=C32

DOS

IR

Vibrations