Geometry & MOs

Info

ID:	49944
PubChem CID:	11538277
Reduced:	ClN2O4H19C20 (1)
Stoich.:	AB2C4D19E20 (1)
Weight, g/mol:	386.103335
ΔH_f, kcal/mol:	-116.44
Dipole, Da:	1.54
IP(EA), eV:	-9.2(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[2-[2-(5-chloro-1-benzofuran-3-yl)ethylamino]ethoxy]-3-methyl-1,3-benzoxazol-2-one

Drug info:

PubChemData

Smile

CC(C)(C(=O)N1CCC2(C1)C3=C(C=NC=C3)C(=O)O2)OC4=CC=C(C=C4)Cl

DOS

IR

Vibrations