Geometry & MOs

Info

ID:	389864
PubChem CID:	134995637
Reduced:	O4C13H16 (1)
Stoich.:	A4B13C16 (1)
Weight, g/mol:	192.091708
ΔH_f, kcal/mol:	-134.99
Dipole, Da:	1.22
IP(EA), eV:	-9.47(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-2-butoxy-3-chlorooxane

Drug info:

PubChemData

Smile

COC(=O)/C=C/[C@@H](COCC1=CC=CC=C1)O

DOS

IR

Vibrations