Geometry & MOs

Info

ID:	233311
PubChem CID:	89649963
Reduced:	NO2C12H15 (2)
Stoich.:	AB2C12D15 (2)
Weight, g/mol:	353.02627
ΔH_f, kcal/mol:	-86.31
Dipole, Da:	4.72
IP(EA), eV:	-8.27(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(4-bromophenyl)-2-oxoethyl]carbamoyl]cyclopentane-1-carboxylic acid

Drug info:

PubChemData

Smile

CCC(CC)(C#CC1=CC2=C(C=C1)C3=CC(=NCN3CC2)OCC4COCCO4)O

DOS

IR

Vibrations