Geometry & MOs

Info

ID:	434326
PubChem CID:	135174690
Reduced:	BrOCl2N2C19H21 (1)
Stoich.:	ABC2D2E19F21 (1)
Weight, g/mol:	382.210387
ΔH_f, kcal/mol:	-13.91
Dipole, Da:	2.55
IP(EA), eV:	-9.21(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-methoxypropoxymethyl)-5-[2-[2-[3-(5-methyl-1,2-oxazol-3-yl)propoxy]ethoxy]ethyl]-1,2-oxazole

Drug info:

PubChemData

Smile

C1C[C@@H](NC1)CNCC2=CC(=CC(=C2)Cl)OCC3=C(C=C(C=C3)Cl)Br

DOS

IR

Vibrations