Geometry & MOs

Info

ID:	197992
PubChem CID:	79026714
Reduced:	O2N3C16H29 (1)
Stoich.:	A2B3C16D29 (1)
Weight, g/mol:	311.02694
ΔH_f, kcal/mol:	-94.04
Dipole, Da:	5.91
IP(EA), eV:	-8.64(0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[(1S)-1-aminoethyl]-2-bromophenyl]piperazine-2,6-dione

Drug info:

PubChemData

Smile

CCN(C1=CCCC1)C(=O)CN2CC(CC2CN(C)C)O

DOS

IR

Vibrations