Geometry & MOs

Info

ID:	337096
PubChem CID:	127256661
Reduced:	ClO4C12H13 (1)
Stoich.:	AB4C12D13 (1)
Weight, g/mol:	184.037173
ΔH_f, kcal/mol:	-152.39
Dipole, Da:	3.43
IP(EA), eV:	-9.16(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2H-pyran-3-carbonyloxy)acetic acid

Drug info:

PubChemData

Smile

C1CC(C(=O)C(C1)Cl)OC(=O)C2=CC=COC2

DOS

IR

Vibrations