Geometry & MOs

Info

ID:	425998
PubChem CID:	135134628
Reduced:	O3N4H22C26 (1)
Stoich.:	A3B4C22D26 (1)
Weight, g/mol:	385.315621
ΔH_f, kcal/mol:	15.54
Dipole, Da:	4.49
IP(EA), eV:	-8.22(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-[3-(4,4-difluoropiperidin-1-yl)cyclohexyl]hexan-2-yl]cyclohexan-1-ol

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)N=C(N=C2NCCC3=CNC4=CC=CC=C43)C5=CC6=C(C=C5)OCO6

DOS

IR

Vibrations