Geometry & MOs

Info

ID:	275060
PubChem CID:	103813525
Reduced:	BrON5C13H18 (1)
Stoich.:	ABC5D13E18 (1)
Weight, g/mol:	268.189926
ΔH_f, kcal/mol:	4.62
Dipole, Da:	3.65
IP(EA), eV:	-8.9(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-2-[4-[(2R)-pyrrolidine-2-carbonyl]piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

C1C[C@@H](NC1)C(=O)N2CCN(CC2)C3=NC=C(C=N3)Br

DOS

IR

Vibrations