Geometry & MOs

Info

ID:	433994
PubChem CID:	135174144
Reduced:	OSC9H18 (1)
Stoich.:	ABC9D18 (1)
Weight, g/mol:	555.12882
ΔH_f, kcal/mol:	-84.75
Dipole, Da:	3.48
IP(EA), eV:	-8.9(0.33)
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-(2-pyridin-4-ylethoxy)phenoxy]propan-1-amine

Drug info:

PubChemData

Smile

CCCCCC1CCSC1O

DOS

IR

Vibrations