Geometry & MOs

Info

ID:

443897

PubChem CID:

135260320

Reduced:

FN9C33H34 (1)

Stoich.:

AB9C33D34 (1)

Weight, g/mol:

606.286701

ΔHf, kcal/mol:

162.7

Dipole, Da:

9.12

IP(EA), eV:

 -8.6(-2.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[5-[(3E)-3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]pyrrolo[3,2-c]pyridin-2-ylidene]-1,2-dihydropyrazolo[4,3-b]pyridin-5-yl]pyridin-3-yl]oxy-N,N-dimethylethanamine

Drug info:

PubChemData

Smile

CN(C)CCNC1=CC(=CC(=C1)C2=NC=CC3=N/C(=C/4\C5=C(C=CC(=N5)C6=CN=CC(=C6)CN7CCCC7)NN4)/C=C32)F

DOS

IR

Vibrations