Geometry & MOs

Info

ID:	337099
PubChem CID:	127256664
Reduced:	O3C13H14 (1)
Stoich.:	A3B13C14 (1)
Weight, g/mol:	154.062994
ΔH_f, kcal/mol:	-79.01
Dipole, Da:	4.62
IP(EA), eV:	-8.38(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2H-pyran-3-yl propanoate

Drug info:

PubChemData

Smile

CC1=C(C=CCC1)C(=O)OC2=CC=COC2

DOS

IR

Vibrations