Geometry & MOs

Info

ID:	134337
PubChem CID:	51683103
Reduced:	N2O11C21H26 (1)
Stoich.:	A2B11C21D26 (1)
Weight, g/mol:	171.149738
ΔH_f, kcal/mol:	-444.77
Dipole, Da:	4.08
IP(EA), eV:	-9.98(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(3S)-3-(2-oxopyrrolidin-1-yl)pentyl]azanium

Drug info:

PubChemData

Smile

CC(=O)OC[C@@H]1[C@@H]([C@@H]([C@@H]([C@@H](O1)OC(=O)C)NC(=O)C2=CN=CC=C2)OCC(=O)OC)OC(=O)C

DOS

IR

Vibrations