Geometry & MOs

Info

ID:

448242

PubChem CID:

135289553

Reduced:

FON10C33H33 (1)

Stoich.:

ABC10D33E33 (1)

Weight, g/mol:

593.266299

ΔHf, kcal/mol:

127.38

Dipole, Da:

6.83

IP(EA), eV:

 -8.15(-2.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-fluoro-5-[(2Z)-2-[5-(5-piperidin-4-yloxypyridin-3-yl)-1,2-dihydropyrazolo[4,3-b]pyridin-3-ylidene]imidazo[4,5-b]pyridin-7-yl]phenoxy]-N,N-dimethylethanamine

Drug info:

PubChemData

Smile

CN(C)CCNC1=CC(=CC(=C1)C2=CC=NC3=N/C(=C\4/C5=C(C=CC(=N5)C6=CC(=CN=C6)NC(=O)C7CCCC7)NN4)/N=C23)F

DOS

IR

Vibrations