Geometry & MOs

Info

ID:	427862
PubChem CID:	135164689
Reduced:	BrClN2O2C19H20 (1)
Stoich.:	ABC2D2E19F20 (1)
Weight, g/mol:	436.05532
ΔH_f, kcal/mol:	-14.67
Dipole, Da:	2.59
IP(EA), eV:	-9.23(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(2-bromo-4-chlorophenyl)methoxy]phenyl]-2-(pyrrolidin-3-ylmethylamino)ethanone

Drug info:

PubChemData

Smile

C1C(CN1)CNCC(=O)C2=CC=C(C=C2)OCC3=C(C=C(C=C3)Cl)Br

DOS

IR

Vibrations