Geometry & MOs

Info

ID:	434063
PubChem CID:	135174220
Reduced:	OC5F10 (2)
Stoich.:	AB5C10 (2)
Weight, g/mol:	506.13357
ΔH_f, kcal/mol:	-1073.89
Dipole, Da:	1.31
IP(EA), eV:	-11.79(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C(=C(F)F)(C(OC(C(C(C(C(C(OC(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F

DOS

IR

Vibrations