Geometry & MOs

Info

ID:	138190
PubChem CID:	52326618
Reduced:	ON2C22H24 (1)
Stoich.:	AB2C22D24 (1)
Weight, g/mol:	339.08339
ΔH_f, kcal/mol:	18.62
Dipole, Da:	3.46
IP(EA), eV:	-8.84(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-bromophenyl)-1-[(2R)-2-methylmorpholin-4-yl]pentan-1-one

Drug info:

PubChemData

Smile

CN(C)[C@@H](CC1=CC=CC=C1)CNC(=O)C2=CC3=CC=CC=C3C=C2

DOS

IR

Vibrations