Geometry & MOs

Info

ID:	151086
PubChem CID:	53790784
Reduced:	ClO3N5C20H24 (1)
Stoich.:	AB3C5D20E24 (1)
Weight, g/mol:	332.155849
ΔH_f, kcal/mol:	-66.83
Dipole, Da:	3.71
IP(EA), eV:	-8.58(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclohexyl-9-oxo-2,3,3a,7,8,10-hexahydrothieno[3,2-d]quinoline-3-carboxamide

Drug info:

PubChemData

Smile

CCCCC1=CC=C(C=C1)NC2=NC3=C(C(=N2)Cl)N=CN3C4CC(C(O4)CO)O

DOS

IR

Vibrations