Geometry & MOs

Info

ID:	427866
PubChem CID:	135164693
Reduced:	BrClON3C17H19 (1)
Stoich.:	ABCD3E17F19 (1)
Weight, g/mol:	422.03967
ΔH_f, kcal/mol:	30.39
Dipole, Da:	2.21
IP(EA), eV:	-9.32(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C(CN1)CNCC2=CC(=CN=C2)OCC3=C(C=C(C=C3)Cl)Br

DOS

IR

Vibrations