Geometry & MOs

Info

ID:	267308
PubChem CID:	103581717
Reduced:	BrClN3C14H21 (1)
Stoich.:	ABC3D14E21 (1)
Weight, g/mol:	360.02402
ΔH_f, kcal/mol:	18.35
Dipole, Da:	3.59
IP(EA), eV:	-8.46(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-bromo-3-chlorophenyl)methylamino]-1-morpholin-4-ylpropan-1-one

Drug info:

PubChemData

Smile

CN1CCN(C(C1)CNCC2=CC(=C(C=C2)Br)Cl)C

DOS

IR

Vibrations