Geometry & MOs

Info

ID:	326225
PubChem CID:	126687199
Reduced:	ClFN7C16H17 (1)
Stoich.:	ABC7D16E17 (1)
Weight, g/mol:	180.096186
ΔH_f, kcal/mol:	56.26
Dipole, Da:	4.94
IP(EA), eV:	-8.98(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,1-difluoro-2-hydroxyethyl)cyclohexan-1-ol

Drug info:

PubChemData

Smile

C1C[C@@H](CNC1)N(C2=NC(=NC=C2F)C3=CNC4=C3C=C(C=N4)Cl)N

DOS

IR

Vibrations