Geometry & MOs

Info

ID:	337072
PubChem CID:	127256637
Reduced:	ClO3C8H13 (1)
Stoich.:	AB3C8D13 (1)
Weight, g/mol:	158.057909
ΔH_f, kcal/mol:	-164.73
Dipole, Da:	4.46
IP(EA), eV:	-10.5(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

acetic acid;2H-pyran-2-ol

Drug info:

PubChemData

Smile

CCC(=O)O[C@H]1[C@@H](CCCO1)Cl

DOS

IR

Vibrations