Geometry & MOs

Info

ID:	274088
PubChem CID:	103806948
Reduced:	BrOSN2C11H15 (1)
Stoich.:	ABCD2E11F15 (1)
Weight, g/mol:	211.132077
ΔH_f, kcal/mol:	6.33
Dipole, Da:	3.04
IP(EA), eV:	-9.42(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R)-5-(3-methylpiperazine-1-carbonyl)pyrrolidin-2-one

Drug info:

PubChemData

Smile

CC(CN)(C1CC1)NC(=O)C2=CSC(=C2)Br

DOS

IR

Vibrations