Geometry & MOs

Info

ID:

447895

PubChem CID:

135286628

Reduced:

ON9H23C27 (1)

Stoich.:

AB9C23D27 (1)

Weight, g/mol:

591.287035

ΔHf, kcal/mol:

180.18

Dipole, Da:

8.83

IP(EA), eV:

 -8.43(-1.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[(3E)-3-[4-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]pyrrolo[2,3-c]pyridin-2-ylidene]-1,2-dihydropyrazolo[3,4-c]pyridin-5-yl]pyridin-3-yl]pentanamide

Drug info:

PubChemData

Smile

CN(C)CC(=O)NC1=CN=CC(=C1)C2=CC\3=C(NN/C3=C\4/C=C5C(=N4)C=CN=C5C6=CC=CC=N6)N=C2

DOS

IR

Vibrations