Geometry & MOs

Info

ID:	411805
PubChem CID:	135084650
Reduced:	BrFOH6C9 (1)
Stoich.:	ABCD6E9 (1)
Weight, g/mol:	204.151415
ΔH_f, kcal/mol:	-6.62
Dipole, Da:	2.74
IP(EA), eV:	-9.01(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-cyclohexyl-4-ethynylhex-5-yn-1-ol

Drug info:

PubChemData

Smile

C=C=COC1=C(C=C(C=C1)F)Br

DOS

IR

Vibrations