Geometry & MOs

Info

ID:

448076

PubChem CID:

135288238

Reduced:

FOSN8H17C25 (1)

Stoich.:

ABCD8E17F25 (1)

Weight, g/mol:

524.276056

ΔHf, kcal/mol:

163.91

Dipole, Da:

5.0

IP(EA), eV:

 -8.7(-2.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2Z)-4-(4-methylpiperazin-1-yl)-2-[5-[5-(2-pyrrolidin-1-ylethoxy)pyridin-3-yl]-1,2-dihydropyrazolo[4,3-b]pyridin-3-ylidene]imidazo[4,5-c]pyridine

Drug info:

PubChemData

Smile

C1CC1C(=O)NC2=CN=CC(=C2)C3=NC\4=C(C=C3)NN/C4=C\5/N=C6C=CN=C(C6=N5)C7=CC=C(S7)F

DOS

IR

Vibrations