Geometry & MOs

Info

ID:	337068
PubChem CID:	127256633
Reduced:	O3C13H14 (1)
Stoich.:	A3B13C14 (1)
Weight, g/mol:	172.073559
ΔH_f, kcal/mol:	-77.1
Dipole, Da:	3.24
IP(EA), eV:	-8.73(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

acetic acid;2H-pyran-2-ylmethanol

Drug info:

PubChemData

Smile

C1CC(=CC=C1)C(=O)OCC2C=CC=CO2

DOS

IR

Vibrations