Geometry & MOs

Info

ID:

178131

PubChem CID:

76282193

Reduced:

O6N8C53H60 (1)

Stoich.:

A6B8C53D60 (1)

Weight, g/mol:

308.096106

ΔHf, kcal/mol:

-171.25

Dipole, Da:

4.42

IP(EA), eV:

 -8.49(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-fluoro-6-[5-(5-methylfuran-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]phenol

Drug info:

PubChemData

Smile

CC(C)C(C(=O)N1CCCC1C2=NC3=C(N2)C=C(C=C3)C4=C5CC6CCC6C5=C(C=C4)C7=CC=C(C8=CC=CC=C87)C9=CN=C(N9)C1CCCN1C(=O)C(C(C)C)NC(=O)OC)NC(=O)OC

DOS

IR

Vibrations