Geometry & MOs

Info

ID:	321629
PubChem CID:	126666699
Reduced:	ON4C18H18 (1)
Stoich.:	AB4C18D18 (1)
Weight, g/mol:	374.165523
ΔH_f, kcal/mol:	41.58
Dipole, Da:	6.66
IP(EA), eV:	-9.04(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1S,3R)-3-fluorocyclopentyl]-2-[(4-methylpyrazol-1-yl)methyl]imidazo[4,5-c]quinoline-8-carbonitrile

Drug info:

PubChemData

Smile

CC1=NC2=C(N1C3CCOC(C3)CC#N)C4=CC=CC=C4N=C2

DOS

IR

Vibrations