Geometry & MOs

Info

ID:	415752
PubChem CID:	135088752
Reduced:	SN2O2C16H24 (1)
Stoich.:	AB2C2D16E24 (1)
Weight, g/mol:	334.152872
ΔH_f, kcal/mol:	-88.04
Dipole, Da:	4.96
IP(EA), eV:	-9.04(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-benzodioxol-5-yloxy)-1-(3-morpholin-4-ylazetidin-1-yl)propan-1-one

Drug info:

PubChemData

Smile

CC[C@]1(CCC[C@H]2[C@@H]1CN(C2)C(=O)NCC3=CC=CS3)O

DOS

IR

Vibrations