Geometry & MOs

Info

ID:	134003
PubChem CID:	51624875
Reduced:	O2N5C16H30 (1)
Stoich.:	A2B5C16D30 (1)
Weight, g/mol:	309.15628
ΔH_f, kcal/mol:	-54.78
Dipole, Da:	7.2
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755718
Charge, e:	1

Chem-info

IUPAC name:

(3R)-1-methyl-3-[4-[(3R)-1-methyl-2,5-dioxopyrrolidin-3-yl]piperazin-1-ium-1-yl]pyrrolidine-2,5-dione

Drug info:

PubChemData

Smile

C[NH+]1[C@@H]2CCN[C@@H]2C(=O)NC[C@@H]1CCC(=O)N3CCN(CC3)C

DOS

IR

Vibrations