Geometry & MOs

Info

ID:	31418
PubChem CID:	855694
Reduced:	ON6C16H24 (1)
Stoich.:	AB6C16D24 (1)
Weight, g/mol:	325.124883
ΔH_f, kcal/mol:	50.96
Dipole, Da:	6.92
IP(EA), eV:	-8.7(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-ethyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylquinoline-3-carbonitrile

Drug info:

PubChemData

Smile

CC(C)N1C(=NN=N1)CN2CCN(CC2)C3=CC=C(C=C3)OC

DOS

IR

Vibrations