Geometry & MOs

Info

ID:	321587
PubChem CID:	126666648
Reduced:	F3N5H10C15 (1)
Stoich.:	A3B5C10D15 (1)
Weight, g/mol:	386.165523
ΔH_f, kcal/mol:	-25.82
Dipole, Da:	7.03
IP(EA), eV:	-9.19(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C2=C(C(=NC3=CC=CC=C32)C(F)(F)F)N=C1N4C=CC=N4

DOS

IR

Vibrations