Geometry & MOs

Info

ID:	202642
PubChem CID:	79702996
Reduced:	BrFOSN2C12H12 (1)
Stoich.:	ABCDE2F12G12 (1)
Weight, g/mol:	300.05251
ΔH_f, kcal/mol:	-39.38
Dipole, Da:	2.61
IP(EA), eV:	-8.72(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-bromo-3-(cyclohexylmethoxymethyl)-5-fluorobenzene

Drug info:

PubChemData

Smile

CN1C(=CN=C1SCC2=CC(=CC(=C2)Br)F)CO

DOS

IR

Vibrations