Geometry & MOs

Info

ID:	434332
PubChem CID:	135174696
Reduced:	NO2C7H11 (1)
Stoich.:	AB2C7D11 (1)
Weight, g/mol:	468.03708
ΔH_f, kcal/mol:	-41.74
Dipole, Da:	4.1
IP(EA), eV:	-10.54(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(azetidin-3-ylmethyl)-3-[3-[(E)-2-(2-bromo-4-chlorophenyl)ethenyl]-5-chlorophenoxy]propan-1-amine

Drug info:

PubChemData

Smile

C1=CON=C1CCCCO

DOS

IR

Vibrations