Geometry & MOs

Info

ID:	327855
PubChem CID:	126691168
Reduced:	OC9H17 (2)
Stoich.:	AB9C17 (2)
Weight, g/mol:	170.167065
ΔH_f, kcal/mol:	-164.03
Dipole, Da:	2.34
IP(EA), eV:	-9.5(2.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-4-tert-butyl-2-ethyloxane

Drug info:

PubChemData

Smile

C[C@H]1C[C@H](OC(C1)C2CC(CC(O2)(C)C)C(C)(C)C)C

DOS

IR

Vibrations