Geometry & MOs

Info

ID:	312312
PubChem CID:	126604244
Reduced:	ClF3O3C20H20 (1)
Stoich.:	AB3C3D20E20 (1)
Weight, g/mol:	166.135765
ΔH_f, kcal/mol:	-272.0
Dipole, Da:	3.92
IP(EA), eV:	-8.65(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(cyclopenten-1-yl)cyclohexan-1-ol

Drug info:

PubChemData

Smile

CCC1=C(C=C(C(=C1)C)OCC2=C(C=CC=C2OC(=O)CC)C(F)(F)F)Cl

DOS

IR

Vibrations