Geometry & MOs

Info

ID:

444072

PubChem CID:

135261217

Reduced:

FO3N5C28H30 (1)

Stoich.:

AB3C5D28E30 (1)

Weight, g/mol:

505.228932

ΔHf, kcal/mol:

-72.44

Dipole, Da:

1.61

IP(EA), eV:

 -8.82(-0.76)

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-[(4-fluorophenyl)methyl]piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

C1CN(CCN1CC2=CC=CC=C2)C(=O)C(CC3=CC(=C(C=C3)OC4=C5C(=CNC5=NC=C4)CO)F)N

DOS

IR

Vibrations