Geometry & MOs

Info

ID:	12781
PubChem CID:	145523
Reduced:	ClNO5H16C18 (1)
Stoich.:	ABC5D16E18 (1)
Weight, g/mol:	361.0717
ΔH_f, kcal/mol:	-132.33
Dipole, Da:	2.83
IP(EA), eV:	-9.11(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]propanoate

Drug info:

PubChemData

Smile

CCOC(=O)CCOC1=CC=C(C=C1)OC2=NC3=C(O2)C=C(C=C3)Cl

DOS

IR

Vibrations