Geometry & MOs

Info

ID:	337071
PubChem CID:	127256636
Reduced:	ClO3C8H13 (1)
Stoich.:	AB3C8D13 (1)
Weight, g/mol:	192.055322
ΔH_f, kcal/mol:	-165.63
Dipole, Da:	3.9
IP(EA), eV:	-10.46(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations