Geometry & MOs

Info

ID:	13599
PubChem CID:	395773
Reduced:	NF2O2H9C14 (1)
Stoich.:	AB2C2D9E14 (1)
Weight, g/mol:	261.060135
ΔH_f, kcal/mol:	-95.14
Dipole, Da:	2.53
IP(EA), eV:	-9.5(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[difluoro(phenoxy)methyl]-1,3-benzoxazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)OC(C2=NC3=CC=CC=C3O2)(F)F

DOS

IR

Vibrations