Geometry & MOs

Info

ID:	285691
PubChem CID:	104119537
Reduced:	BrN2O2C14H17 (1)
Stoich.:	AB2C2D14E17 (1)
Weight, g/mol:	260.152478
ΔH_f, kcal/mol:	-15.92
Dipole, Da:	3.07
IP(EA), eV:	-9.19(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-(3,5-dimethylphenoxy)-1,3-oxazol-4-yl]methyl]propan-2-amine

Drug info:

PubChemData

Smile

CC(C)CNCC1=COC(=N1)OC2=CC=C(C=C2)Br

DOS

IR

Vibrations