Geometry & MOs

Info

ID:	197936
PubChem CID:	79018468
Reduced:	BrO2C10H13 (1)
Stoich.:	AB2C10D13 (1)
Weight, g/mol:	241.030584
ΔH_f, kcal/mol:	-75.44
Dipole, Da:	2.81
IP(EA), eV:	-9.15(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(chloromethyl)-5-(3-fluoro-4-methoxyphenyl)-1,2-oxazole

Drug info:

PubChemData

Smile

CC[C@@H](C1=C(C=C(C=C1)OC)Br)O

DOS

IR

Vibrations