Geometry & MOs

Info

ID:

447983

PubChem CID:

135287325

Reduced:

FON9C33H34 (1)

Stoich.:

ABC9D33E34 (1)

Weight, g/mol:

591.261883

ΔHf, kcal/mol:

95.04

Dipole, Da:

9.14

IP(EA), eV:

 -8.58(-2.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[6-[(3Z)-3-[7-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]imidazo[4,5-c]pyridin-2-ylidene]-1,2-dihydropyrazolo[4,3-b]pyridin-5-yl]pyrazin-2-yl]azetidin-3-amine

Drug info:

PubChemData

Smile

CC(C)CC(=O)NC1=CN=CC(=C1)C2=CC\3=C(NN/C3=C/4\C=C5C(=CN=CC5=N4)C6=CC(=CC(=C6)F)NCCN(C)C)N=C2

DOS

IR

Vibrations