Geometry & MOs

Info

ID:	285059
PubChem CID:	104094073
Reduced:	ClO3N4C13H15 (1)
Stoich.:	AB3C4D13E15 (1)
Weight, g/mol:	281.00514
ΔH_f, kcal/mol:	18.68
Dipole, Da:	7.51
IP(EA), eV:	-10.04(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(3-bromophenyl)-1,2-oxazol-5-yl]propan-1-ol

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)[N+](=O)[O-])CN2C=C(N=N2)CCCCl

DOS

IR

Vibrations