Geometry & MOs

Info

ID:	399947
PubChem CID:	135044098
Reduced:	BrOC15H21 (1)
Stoich.:	ABC15D21 (1)
Weight, g/mol:	275.152144
ΔH_f, kcal/mol:	-60.89
Dipole, Da:	2.87
IP(EA), eV:	-9.51(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-phenylbutan-2-yloxy)ethyl]pyrrolidine-2,5-dione

Drug info:

PubChemData

Smile

C[C@@H]1CCC2[C@@]13C(C=C([C@@H](C3=O)C2(C)C)C)Br

DOS

IR

Vibrations