Geometry & MOs

Info

ID:	39650
PubChem CID:	8141747
Reduced:	N4O4C20H27 (1)
Stoich.:	A4B4C20D27 (1)
Weight, g/mol:	386.195405
ΔH_f, kcal/mol:	-128.34
Dipole, Da:	7.1
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755005
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)C[NH+]1CCN(CC1)C(=O)CN2C(=O)C3=CC=CC=C3C2=O

DOS

IR

Vibrations