Geometry & MOs

Info

ID:	184403
PubChem CID:	77156206
Reduced:	NaO7C23H31 (2)
Stoich.:	AB7C23D31 (2)
Weight, g/mol:	158.105528
ΔH_f, kcal/mol:	-622.58
Dipole, Da:	12.79
IP(EA), eV:	-4.16(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-1-hydroxy-3-propan-2-ylpyrrolidin-2-one

Drug info:

PubChemData

Smile

CC12CC(C3C(C1CCC2(C(=O)CO)O)CCC4=CC(=O)CC(C34C)OC(=O)CCC(=O)OC5CC(=O)C=C6C5(C7C(CC6)C8CCC(C8(CC7O)C)(C(=O)CO)O)C)O.[Na].[Na]

DOS

IR

Vibrations