Geometry & MOs

Info

ID:	147381
PubChem CID:	53787037
Reduced:	ClON2C12H15 (1)
Stoich.:	ABC2D12E15 (1)
Weight, g/mol:	274.141638
ΔH_f, kcal/mol:	-21.64
Dipole, Da:	3.94
IP(EA), eV:	-9.48(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethoxy-2-[3-(oxan-4-yl)propoxy]-3-oxopropanoic acid

Drug info:

PubChemData

Smile

CC1(CN(C1=O)CCC2=CC(=CC=C2)Cl)N

DOS

IR

Vibrations