Geometry & MOs

Info

ID:	337076
PubChem CID:	127256641
Reduced:	O2C5H7 (2)
Stoich.:	A2B5C7 (2)
Weight, g/mol:	170.057909
ΔH_f, kcal/mol:	-163.48
Dipole, Da:	3.31
IP(EA), eV:	-9.06(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-hydroxy-2H-pyran-3-yl) propanoate

Drug info:

PubChemData

Smile

CC(C)CC(=O)OC1=CC=COC1O

DOS

IR

Vibrations