Geometry & MOs

Info

ID:	204781
PubChem CID:	80006639
Reduced:	NO2C6H11 (2)
Stoich.:	AB2C6D11 (2)
Weight, g/mol:	281.137556
ΔH_f, kcal/mol:	-209.52
Dipole, Da:	4.29
IP(EA), eV:	-9.9(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[(6-propoxypyrazin-2-yl)amino]methyl]oxolane-2-carboxylic acid

Drug info:

PubChemData

Smile

CCCC(C)NC(=O)NCC1CCC(O1)C(=O)O

DOS

IR

Vibrations