Geometry & MOs

Info

ID:	259027
PubChem CID:	103158028
Reduced:	N2O2F3C12H13 (1)
Stoich.:	A2B2C3D12E13 (1)
Weight, g/mol:	284.083078
ΔH_f, kcal/mol:	-197.73
Dipole, Da:	4.71
IP(EA), eV:	-9.7(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxy-3-(5-methylsulfonyl-1,3-benzoxazol-2-yl)propan-1-amine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations