Geometry & MOs

Info

ID:	429305
PubChem CID:	135169274
Reduced:	N5C21H21 (1)
Stoich.:	A5B21C21 (1)
Weight, g/mol:	348.138639
ΔH_f, kcal/mol:	93.86
Dipole, Da:	3.52
IP(EA), eV:	-8.5(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(CN(C1)C2=C3C=C(C=CC3=NC=C2)C4=CNC5=C4C=CC=N5)N

DOS

IR

Vibrations