Geometry & MOs

Info

ID:	429422
PubChem CID:	135169471
Reduced:	O2N5H33C56 (1)
Stoich.:	A2B5C33D56 (1)
Weight, g/mol:	277.101526
ΔH_f, kcal/mol:	247.98
Dipole, Da:	3.62
IP(EA), eV:	-8.26(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-fluoro-6-(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)quinoline

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=NC(=N2)C3=C4C5=CC=CC=C5OC4=CC=C3)C6=CC=CC(=C6)C7=CC(=CC=C7)N8C9=C(C=CC1=CC=CC=C19)C1=C8C2=C(C=C1)N=C(O2)C1=CC=CC=C1

DOS

IR

Vibrations