Geometry & MOs

Info

ID:	146488
PubChem CID:	53696494
Reduced:	NO3C7H13 (1)
Stoich.:	AB3C7D13 (1)
Weight, g/mol:	258.110338
ΔH_f, kcal/mol:	-140.24
Dipole, Da:	5.9
IP(EA), eV:	-9.2(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-oxo-5-(4-prop-2-enoyloxybutoxy)pentanoic acid

Drug info:

PubChemData

Smile

CC(=O)CN1C[C@@H]([C@H](C1)O)O

DOS

IR

Vibrations