Geometry & MOs

Info

ID:	259288
PubChem CID:	103162569
Reduced:	ClON2C13H13 (1)
Stoich.:	ABC2D13E13 (1)
Weight, g/mol:	276.147393
ΔH_f, kcal/mol:	3.58
Dipole, Da:	4.02
IP(EA), eV:	-9.3(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[1-amino-2-(3-ethoxycyclobutyl)ethyl]-3H-1,3-benzoxazol-2-one

Drug info:

PubChemData

Smile

C1CC(C1)CC(=O)C2=CNC3=NC=CC(=C23)Cl

DOS

IR

Vibrations