Geometry & MOs

Info

ID:

443969

PubChem CID:

135260846

Reduced:

FO2N4C29H31 (1)

Stoich.:

AB2C4D29E31 (1)

Weight, g/mol:

522.275467

ΔHf, kcal/mol:

-51.7

Dipole, Da:

3.17

IP(EA), eV:

 -8.5(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-amino-3-[3-fluoro-4-[(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]-1-[4-(1-methylpiperidine-4-carbonyl)piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1=CNC2=NC=CC(=C12)OC3=C(C=C(C=C3)CC(C(=O)N4CCC(CC4)CC5=CC=CC=C5)N)F

DOS

IR

Vibrations