Geometry & MOs

Info

ID:	242239
PubChem CID:	96079739
Reduced:	FNO2H12C15 (1)
Stoich.:	ABC2D12E15 (1)
Weight, g/mol:	257.085207
ΔH_f, kcal/mol:	-59.23
Dipole, Da:	4.51
IP(EA), eV:	-9.36(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(S)-(2-fluorophenyl)-(6-methyl-1,3-benzoxazol-2-yl)methanol

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)OC(=N2)[C@H](C3=CC=CC=C3F)O

DOS

IR

Vibrations