Geometry & MOs

Info

ID:	39649
PubChem CID:	8141746
Reduced:	ClN3O3C20H30 (1)
Stoich.:	AB3C3D20E30 (1)
Weight, g/mol:	387.20323
ΔH_f, kcal/mol:	-146.51
Dipole, Da:	0.4
IP(EA), eV:	-9.08(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-tert-butyl-2-[4-[2-(1,3-dioxoisoindol-2-yl)acetyl]piperazin-1-ium-1-yl]acetamide

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)CN1CCN(CC1)C(=O)C(C)(C)OC2=CC=C(C=C2)Cl

DOS

IR

Vibrations