Geometry & MOs

Info

ID:	187903
PubChem CID:	77641459
Reduced:	ClO2C19H23 (1)
Stoich.:	AB2C19D23 (1)
Weight, g/mol:	299.136887
ΔH_f, kcal/mol:	-108.29
Dipole, Da:	3.92
IP(EA), eV:	-9.05(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,10-dioxoazecan-1-yl)pentanedioic acid

Drug info:

PubChemData

Smile

CC12CCC3C(C1CCCC2=O)CCC4=C3C(=CC(=C4)O)Cl

DOS

IR

Vibrations