Geometry & MOs

Info

ID:	170883
PubChem CID:	75292145
Reduced:	ClNO2H24C26 (1)
Stoich.:	ABC2D24E26 (1)
Weight, g/mol:	281.072179
ΔH_f, kcal/mol:	-9.54
Dipole, Da:	2.65
IP(EA), eV:	-8.93(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-(3-methylphenyl)-1,2-oxazol-3-yl]ethyl methanesulfonate

Drug info:

PubChemData

Smile

CCC=CC(C1=CC=CC=C1)C2(C3=C(C(=CC=C3)Cl)N(C2=O)CC4=CC=CC=C4)O

DOS

IR

Vibrations