Geometry & MOs

Info

ID:	262075
PubChem CID:	103268291
Reduced:	NO2C11H21 (1)
Stoich.:	AB2C11D21 (1)
Weight, g/mol:	247.124215
ΔH_f, kcal/mol:	-108.55
Dipole, Da:	3.31
IP(EA), eV:	-9.18(0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(1-methylsulfanylbutan-2-ylamino)methyl]oxolane-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)C(C(=O)O)NC(C)C1CCC1

DOS

IR

Vibrations