Geometry & MOs

Info

ID:

433019

PubChem CID:

135173156

Reduced:

O2H6C7 (2)

Stoich.:

A2B6C7 (2)

Weight, g/mol:

621.2976

ΔHf, kcal/mol:

-125.97

Dipole, Da:

2.99

IP(EA), eV:

 -9.02(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[[5-[(3Z)-3-[7-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]imidazo[4,5-c]pyridin-2-ylidene]-1,2-dihydropyrazolo[3,4-c]pyridin-5-yl]pyridin-3-yl]amino]-3-methylbutan-1-ol

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1OC(=O)C2=CC=CC=C2)O)O

DOS

IR

Vibrations