Geometry & MOs

Info

ID:	220861
PubChem CID:	85240198
Reduced:	NO2C17H29 (1)
Stoich.:	AB2C17D29 (1)
Weight, g/mol:	280.142307
ΔH_f, kcal/mol:	-98.1
Dipole, Da:	4.88
IP(EA), eV:	-10.22(0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 4-hydroxy-3-(methoxyamino)-3-methylpyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CCCCCCC1CC(OC(O1)(C)C)(CCC=C)C#N

DOS

IR

Vibrations