Geometry & MOs

Info

ID:

448202

PubChem CID:

135289231

Reduced:

ON7H21C27 (1)

Stoich.:

AB7C21D27 (1)

Weight, g/mol:

633.2976

ΔHf, kcal/mol:

157.02

Dipole, Da:

12.56

IP(EA), eV:

 -8.52(-1.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[(3Z)-3-[7-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]imidazo[4,5-b]pyridin-2-ylidene]-1,2-dihydropyrazolo[4,3-b]pyridin-5-yl]pyridin-3-yl]-3,3-dimethylbutanamide

Drug info:

PubChemData

Smile

CCC(=O)NC1=CN=CC(=C1)C2=CC\3=C(C=C2)NN/C3=C\4/C=C5C(=N4)C=CN=C5C6=CC=NC=C6

DOS

IR

Vibrations