Geometry & MOs

Info

ID:

308960

PubChem CID:

126532856

Reduced:

SN7H23C26 (1)

Stoich.:

AB7C23D26 (1)

Weight, g/mol:

499.249587

ΔHf, kcal/mol:

201.35

Dipole, Da:

8.15

IP(EA), eV:

 -8.67(-2.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-fluoro-5-[(2E)-2-(5-piperidin-4-yl-1,2-dihydropyrazolo[3,4-b]pyridin-3-ylidene)pyrrolo[2,3-c]pyridin-4-yl]phenoxy]-N,N-dimethylethanamine

Drug info:

PubChemData

Smile

CCNCC1=CC(=CN=C1)C2=CC\3=C(NN/C3=C/4\C=C5C(=CN=CC5=N4)C6=CC=C(S6)C)N=C2

DOS

IR

Vibrations