Geometry & MOs

Info

ID:	274214
PubChem CID:	103807750
Reduced:	SBr2N2O2C13H18 (1)
Stoich.:	AB2C2D2E13F18 (1)
Weight, g/mol:	240.158626
ΔH_f, kcal/mol:	-47.35
Dipole, Da:	5.5
IP(EA), eV:	-9.43(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S)-5-[2-(aminomethyl)-4-methylpiperazine-1-carbonyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

C1CN(CCC1OCCCN)C(=O)C2=C(SC(=C2)Br)Br

DOS

IR

Vibrations