Geometry & MOs

Info

ID:	354165
PubChem CID:	127286106
Reduced:	N2O2C9H10 (2)
Stoich.:	A2B2C9D10 (2)
Weight, g/mol:	380.20597
ΔH_f, kcal/mol:	-111.14
Dipole, Da:	2.41
IP(EA), eV:	-8.97(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]piperazin-1-yl]-N-(oxolan-2-ylmethyl)propanamide

Drug info:

PubChemData

Smile

C1CC(=O)N(C1=O)CC(=O)N2CCN(CC2)CC3=NC4=CC=CC=C4O3

DOS

IR

Vibrations