Geometry & MOs

Info

ID:	48097
PubChem CID:	10537141
Reduced:	OSC13H20 (1)
Stoich.:	ABC13D20 (1)
Weight, g/mol:	224.096793
ΔH_f, kcal/mol:	-55.04
Dipole, Da:	0.31
IP(EA), eV:	-8.63(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R,4R)-4-chloro-3-ethyl-2-phenyloxane

Drug info:

PubChemData

Smile

CC(C)CC(C)(CSC1=CC=CC=C1)O

DOS

IR

Vibrations