Geometry & MOs

Info

ID:	357504
PubChem CID:	127294137
Reduced:	O4N5C20H23 (1)
Stoich.:	A4B5C20D23 (1)
Weight, g/mol:	359.148121
ΔH_f, kcal/mol:	-102.83
Dipole, Da:	4.82
IP(EA), eV:	-8.57(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxopyrrolidine-3-carbonyl]-3-methylpiperazin-2-one

Drug info:

PubChemData

Smile

CC1=NN2CC(CCC2=N1)NC(=O)C3CCN(C3=O)C4=CC5=C(C=C4)OCCO5

DOS

IR

Vibrations