Geometry & MOs

Info

ID:	10216
PubChem CID:	98983
Reduced:	ClOF2C5H5 (2)
Stoich.:	ABC2D5E5 (2)
Weight, g/mol:	307.999398
ΔH_f, kcal/mol:	-305.53
Dipole, Da:	5.23
IP(EA), eV:	-10.77(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,3-dichloro-1,1,3,3-tetrafluoro-2-hydroxypropan-2-yl)bicyclo[2.2.1]heptan-2-one

Drug info:

PubChemData

Smile

C1CC2CC1C(C2=O)C(C(F)(F)Cl)(C(F)(F)Cl)O

DOS

IR

Vibrations