Geometry & MOs

Info

ID:	429306
PubChem CID:	135169275
Reduced:	FON4H17C20 (1)
Stoich.:	ABC4D17E20 (1)
Weight, g/mol:	362.154289
ΔH_f, kcal/mol:	8.29
Dipole, Da:	7.45
IP(EA), eV:	-9.0(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butyl-3-(8-fluoroquinolin-6-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide

Drug info:

PubChemData

Smile

CCN(C)C(=O)C1=CC2=C(NC=C2C3=CC(=C4C(=C3)C=CC=N4)F)N=C1

DOS

IR

Vibrations