Geometry & MOs

Info

ID:	242238
PubChem CID:	96079734
Reduced:	FNO2H10C11 (1)
Stoich.:	ABC2D10E11 (1)
Weight, g/mol:	257.085207
ΔH_f, kcal/mol:	-78.41
Dipole, Da:	2.55
IP(EA), eV:	-9.73(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(S)-(2-fluorophenyl)-(5-methyl-1,3-benzoxazol-2-yl)methanol

Drug info:

PubChemData

Smile

CC1=COC(=N1)[C@@H](C2=CC=CC=C2F)O

DOS

IR

Vibrations