Geometry & MOs

Info

ID:	242149
PubChem CID:	96079289
Reduced:	FNO2H8C10 (1)
Stoich.:	ABC2D8E10 (1)
Weight, g/mol:	258.080456
ΔH_f, kcal/mol:	-66.07
Dipole, Da:	0.77
IP(EA), eV:	-9.95(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(R)-(6-amino-1,3-benzoxazol-2-yl)-(4-fluorophenyl)methanol

Drug info:

PubChemData

Smile

C1=CC(=CC=C1[C@@H](C2=NC=CO2)O)F

DOS

IR

Vibrations