Geometry & MOs

Info

ID:	294219
PubChem CID:	117438294
Reduced:	N2O3C15H18 (1)
Stoich.:	A2B3C15D18 (1)
Weight, g/mol:	274.131742
ΔH_f, kcal/mol:	-111.06
Dipole, Da:	5.48
IP(EA), eV:	-8.82(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(1-hydroxycyclopropyl)methyl]phenyl]-4-methylpiperazine-2,5-dione

Drug info:

PubChemData

Smile

CN1C2=C(C=C(C=C2)C3(CCCC3)C(=O)O)N(C1=O)C

DOS

IR

Vibrations