Geometry & MOs

Info

ID:	229637
PubChem CID:	87568270
Reduced:	O3C6H14 (1)
Stoich.:	A3B6C14 (1)
Weight, g/mol:	333.266779
ΔH_f, kcal/mol:	-165.77
Dipole, Da:	4.17
IP(EA), eV:	-10.12(1.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)dodecane-1,3-dione

Drug info:

PubChemData

Smile

CCC(C)(C(CO)O)O

DOS

IR

Vibrations