Geometry & MOs

Info

ID:	402379
PubChem CID:	135055763
Reduced:	C13H28 (1)
Stoich.:	A13B28 (1)
Weight, g/mol:	371.01571
ΔH_f, kcal/mol:	-71.02
Dipole, Da:	0.08
IP(EA), eV:	-10.67(3.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3R,4R)-4-(4-bromophenyl)oxolan-3-yl]isoindole-1,3-dione

Drug info:

PubChemData

Smile

CCCC[C@@H](C)C[C@@H](C)CCCC

DOS

IR

Vibrations