Geometry & MOs

Info

ID:	275059
PubChem CID:	103813509
Reduced:	ON3C13H19 (1)
Stoich.:	AB3C13D19 (1)
Weight, g/mol:	339.06947
ΔH_f, kcal/mol:	-25.19
Dipole, Da:	4.39
IP(EA), eV:	-9.45(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone

Drug info:

PubChemData

Smile

C1CCN[C@@H](C1)C(=O)NCCC2=CN=CC=C2

DOS

IR

Vibrations