Geometry & MOs

Info

ID:	375130
PubChem CID:	131472583
Reduced:	FON2C12H15 (1)
Stoich.:	ABC2D12E15 (1)
Weight, g/mol:	222.116841
ΔH_f, kcal/mol:	-65.09
Dipole, Da:	3.31
IP(EA), eV:	-8.53(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6-fluoro-5-methyl-1,3-benzoxazol-2-yl)butan-1-amine

Drug info:

PubChemData

Smile

CC1=CNC2=C1C=C(C=C2F)C(CNC)O

DOS

IR

Vibrations