Geometry & MOs

Info

ID:	402696
PubChem CID:	135056928
Reduced:	ClFNC8H11 (1)
Stoich.:	ABCD8E11 (1)
Weight, g/mol:	228.172545
ΔH_f, kcal/mol:	-67.76
Dipole, Da:	5.46
IP(EA), eV:	-10.06(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S)-1-cyclohexyl-1-(methoxymethoxy)pent-4-en-2-ol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[C@@H](CF)[NH3+].[Cl-]

DOS

IR

Vibrations