Geometry & MOs

Info

ID:

308773

PubChem CID:

126522469

Reduced:

FON6H23C25 (1)

Stoich.:

ABC6D23E25 (1)

Weight, g/mol:

612.257292

ΔHf, kcal/mol:

85.92

Dipole, Da:

7.34

IP(EA), eV:

 -8.67(-2.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-[(2E)-2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-1,2-dihydropyrazolo[3,4-c]pyridin-3-ylidene]pyrrolo[2,3-b]pyridin-4-yl]-5-fluorophenoxy]-N,N-dimethylethanamine

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)C2=CC=NC3=N/C(=C/4\C5=CC(=NC=C5NN4)C6CCNCC6)/C=C23)F

DOS

IR

Vibrations