Geometry & MOs

Info

ID:	337107
PubChem CID:	127256672
Reduced:	O3C12H14 (1)
Stoich.:	A3B12C14 (1)
Weight, g/mol:	170.057909
ΔH_f, kcal/mol:	-94.33
Dipole, Da:	1.75
IP(EA), eV:	-8.91(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxyethyl 2H-pyran-4-carboxylate

Drug info:

PubChemData

Smile

C1CC=CC(C1)OC(=O)C2=CCOC=C2

DOS

IR

Vibrations