Geometry & MOs

Info

ID:	379812
PubChem CID:	134464967
Reduced:	O2F3C24H27 (1)
Stoich.:	A2B3C24D27 (1)
Weight, g/mol:	346.07438
ΔH_f, kcal/mol:	-158.7
Dipole, Da:	4.55
IP(EA), eV:	-8.53(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-1,2-difluoro-3-[(4-propylcyclohexyl)methoxy]benzene

Drug info:

PubChemData

Smile

CCCC1CCC(CC1)COC2=CC3=C4C=CC(=C(C4=C3C(=C2F)F)F)OCC

DOS

IR

Vibrations