Geometry & MOs

Info

ID:	429334
PubChem CID:	135169303
Reduced:	NC4H5 (3)
Stoich.:	AB4C5 (3)
Weight, g/mol:	473.233937
ΔH_f, kcal/mol:	33.95
Dipole, Da:	1.15
IP(EA), eV:	-8.24(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[(3R)-3-aminopiperidin-1-yl]-8-fluoroquinolin-6-yl]-N-(3-methyliminopropyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)NC1=NC=CC2=C1N=CC=C2

DOS

IR

Vibrations