Geometry & MOs

Info

ID:	209473
PubChem CID:	80677919
Reduced:	BrON3C10H14 (1)
Stoich.:	ABC3D10E14 (1)
Weight, g/mol:	258.00039
ΔH_f, kcal/mol:	-12.27
Dipole, Da:	4.13
IP(EA), eV:	-9.49(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(bromomethyl)pyrrolidin-1-yl]-(1,2-oxazol-3-yl)methanone

Drug info:

PubChemData

Smile

C1CN(CCC1CBr)C(=O)C2=CNN=C2

DOS

IR

Vibrations