Geometry & MOs

Info

ID:	302598
PubChem CID:	124385249
Reduced:	BrN2O2C7H9 (1)
Stoich.:	AB2C2D7E9 (1)
Weight, g/mol:	141.078979
ΔH_f, kcal/mol:	-51.24
Dipole, Da:	4.28
IP(EA), eV:	-9.66(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethanol

Drug info:

PubChemData

Smile

C[C@H](CC(=O)O)N1C=C(C=N1)Br

DOS

IR

Vibrations