Geometry & MOs

Info

ID:	45542
PubChem CID:	10514748
Reduced:	O2N5C11H15 (1)
Stoich.:	A2B5C11D15 (1)
Weight, g/mol:	249.136493
ΔH_f, kcal/mol:	14.91
Dipole, Da:	8.68
IP(EA), eV:	-9.72(-1.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl (2R,5S)-2-(hydroxymethyl)-5-methylpyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

C1C[C@H](C[C@H]1CN2C3=NC=NC(=O)C3=NN2)CO

DOS

IR

Vibrations