Geometry & MOs

Info

ID:	434686
PubChem CID:	135175481
Reduced:	NS2O3C17H23 (1)
Stoich.:	AB2C3D17E23 (1)
Weight, g/mol:	351.240959
ΔH_f, kcal/mol:	-54.2
Dipole, Da:	3.19
IP(EA), eV:	-8.94(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[3-[4-[(1R)-1-(propan-2-ylamino)ethyl]phenoxy]propoxy]propoxy]propan-2-one

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=C(C=C1)C#CCOCCCOCC(=O)CS)NS

DOS

IR

Vibrations