Geometry & MOs

Info

ID:	337070
PubChem CID:	127256635
Reduced:	O3C13H16 (1)
Stoich.:	A3B13C16 (1)
Weight, g/mol:	192.055322
ΔH_f, kcal/mol:	-99.06
Dipole, Da:	2.55
IP(EA), eV:	-8.78(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,3S)-3-chlorooxan-2-yl] propanoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations