Geometry & MOs

Info

ID:	325229
PubChem CID:	126682164
Reduced:	NOC11H19 (1)
Stoich.:	ABC11D19 (1)
Weight, g/mol:	156.151415
ΔH_f, kcal/mol:	-54.66
Dipole, Da:	3.87
IP(EA), eV:	-10.03(1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,4R)-4-tert-butyl-2-methyloxane

Drug info:

PubChemData

Smile

CC(C)(C)[C@@H]1CCO[C@@H](C1)CC#N

DOS

IR

Vibrations