Geometry & MOs

Info

ID:	26337
PubChem CID:	644949
Reduced:	SO3N5C13H21 (1)
Stoich.:	AB3C5D13E21 (1)
Weight, g/mol:	295.132077
ΔH_f, kcal/mol:	-92.92
Dipole, Da:	3.16
IP(EA), eV:	-9.11(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-piperidin-1-yl-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-8-carbonitrile

Drug info:

PubChemData

Smile

CCNC1=NC(=NC(=N1)SC(C)C(=O)OC)N2CCOCC2

DOS

IR

Vibrations