Geometry & MOs

Info

ID:	259025
PubChem CID:	103158023
Reduced:	BrN2O2C11H13 (1)
Stoich.:	AB2C2D11E13 (1)
Weight, g/mol:	234.136828
ΔH_f, kcal/mol:	-32.73
Dipole, Da:	2.92
IP(EA), eV:	-9.52(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methoxypropan-1-amine

Drug info:

PubChemData

Smile

COC(CC1=NC2=C(O1)C=CC(=C2)Br)CN

DOS

IR

Vibrations