Geometry & MOs

Info

ID:	434344
PubChem CID:	135174718
Reduced:	BrClN2O2C24H28 (1)
Stoich.:	ABC2D2E24F28 (1)
Weight, g/mol:	504.262422
ΔH_f, kcal/mol:	-9.77
Dipole, Da:	3.16
IP(EA), eV:	-8.78(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-3-[5-[4-[2-[3-[2-(4-methylphenoxy)ethoxymethyl]-1,2-oxazol-5-yl]ethyl]phenoxy]pentyl]-1,2-oxazole

Drug info:

PubChemData

Smile

C=CCOC1=CC(=C(C=C1)OCCNCC2CCNC2)/C=C/C3=C(C=C(C=C3)Cl)Br

DOS

IR

Vibrations