Geometry & MOs

Info

ID:	202462
PubChem CID:	79674892
Reduced:	NO2C6H7 (2)
Stoich.:	AB2C6D7 (2)
Weight, g/mol:	240.111007
ΔH_f, kcal/mol:	-104.16
Dipole, Da:	3.49
IP(EA), eV:	-9.58(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(2-cyanomorpholin-4-yl)methyl]oxolane-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C=C(O1)C(=O)O)CN2CCOC(C2)C#N

DOS

IR

Vibrations