Geometry & MOs

Info

ID:	227384
PubChem CID:	87561594
Reduced:	FOCl2N3C15H16 (1)
Stoich.:	ABC2D3E15F16 (1)
Weight, g/mol:	467.981822
ΔH_f, kcal/mol:	-48.41
Dipole, Da:	3.31
IP(EA), eV:	-9.65(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,1,2,2,3,3,4,4,5,6,6,7,7,8,8,9,9,9-octadecafluorononan-1-ol

Drug info:

PubChemData

Smile

CC(CNC[C@@H](C1=NC=C(C=C1)F)O)C2=C(N=C(C=C2)Cl)Cl

DOS

IR

Vibrations