Geometry & MOs

Info

ID:	45579
PubChem CID:	10515164
Reduced:	NO5C12H17 (1)
Stoich.:	AB5C12D17 (1)
Weight, g/mol:	255.165456
ΔH_f, kcal/mol:	-225.75
Dipole, Da:	5.3
IP(EA), eV:	-9.73(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]acetonitrile

Drug info:

PubChemData

Smile

CCOC(=O)[C@@H]1[C@@H]2CCCN2C(=O)[C@@H]1OC(=O)C

DOS

IR

Vibrations