Geometry & MOs

Info

ID:	31336
PubChem CID:	855591
Reduced:	FN6C18H27 (1)
Stoich.:	AB6C18D27 (1)
Weight, g/mol:	339.140533
ΔH_f, kcal/mol:	38.15
Dipole, Da:	5.37
IP(EA), eV:	-8.45(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-cyano-5,8-dimethylquinolin-2-yl)sulfanyl-N-cyclopentylacetamide

Drug info:

PubChemData

Smile

CC(C)CCN1C(=NN=N1)[C@@H](C2=CC=CC=C2F)N3CCN(CC3)C

DOS

IR

Vibrations