Geometry & MOs

Info

ID:	204780
PubChem CID:	80006638
Reduced:	NO2C6H11 (2)
Stoich.:	AB2C6D11 (2)
Weight, g/mol:	258.157957
ΔH_f, kcal/mol:	-206.73
Dipole, Da:	4.64
IP(EA), eV:	-9.9(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(pentan-2-ylcarbamoylamino)methyl]oxolane-2-carboxylic acid

Drug info:

PubChemData

Smile

CCCCCNC(=O)NCC1CCC(O1)C(=O)O

DOS

IR

Vibrations