Geometry & MOs

Info

ID:	337109
PubChem CID:	127256674
Reduced:	O3C15H16 (1)
Stoich.:	A3B15C16 (1)
Weight, g/mol:	158.057909
ΔH_f, kcal/mol:	-66.06
Dipole, Da:	2.29
IP(EA), eV:	-8.76(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

acetic acid;2H-pyran-4-ol

Drug info:

PubChemData

Smile

C1CC=C(C=C1)/C=C/CC(=O)OC2=CCOC=C2

DOS

IR

Vibrations