Geometry & MOs

Info

ID:	203940
PubChem CID:	79891939
Reduced:	NOF2C14H17 (1)
Stoich.:	ABC2D14E17 (1)
Weight, g/mol:	249.147727
ΔH_f, kcal/mol:	-68.23
Dipole, Da:	3.63
IP(EA), eV:	-9.24(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-amino-1,3-benzoxazol-2-yl)-propan-2-ylamino]propan-1-ol

Drug info:

PubChemData

Smile

CCCNCC1=CC(=C(C(=C1)F)OCC#CC)F

DOS

IR

Vibrations