Geometry & MOs

Info

ID:	203882
PubChem CID:	79888356
Reduced:	ClF2O2C9H9 (1)
Stoich.:	AB2C2D9E9 (1)
Weight, g/mol:	329.98671
ΔH_f, kcal/mol:	-162.12
Dipole, Da:	2.06
IP(EA), eV:	-9.73(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(bromomethyl)-1,3-difluoro-2-[(4-fluorophenyl)methoxy]benzene

Drug info:

PubChemData

Smile

COCOC1=C(C=C(C=C1F)CCl)F

DOS

IR

Vibrations