Geometry & MOs

Info

ID:	263533
PubChem CID:	103376029
Reduced:	NO2C12H21 (1)
Stoich.:	AB2C12D21 (1)
Weight, g/mol:	215.098
ΔH_f, kcal/mol:	-92.3
Dipole, Da:	2.59
IP(EA), eV:	-10.47(0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-hydroxybutan-2-yloxy)-5-methylthiolane-3-carbonitrile

Drug info:

PubChemData

Smile

CC(C)C1CCCCC1(C#N)OCCO

DOS

IR

Vibrations