Geometry & MOs

Info

ID:	242240
PubChem CID:	96079741
Reduced:	FNO2H12C15 (1)
Stoich.:	ABC2D12E15 (1)
Weight, g/mol:	258.080456
ΔH_f, kcal/mol:	-59.93
Dipole, Da:	4.97
IP(EA), eV:	-9.33(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N=C(O2)[C@H](C3=CC=CC=C3F)O

DOS

IR

Vibrations