Geometry & MOs

Info

ID:	327750
PubChem CID:	126690967
Reduced:	ISN2O2F3C7H10 (1)
Stoich.:	ABC2D2E3F7G10 (1)
Weight, g/mol:	180.076199
ΔH_f, kcal/mol:	-216.16
Dipole, Da:	3.49
IP(EA), eV:	-9.42(-2.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-2-(trifluoromethyl)bicyclo[2.2.1]heptan-2-ol

Drug info:

PubChemData

Smile

C1CN(CCN1C(=O)OC(C(F)(F)F)I)S

DOS

IR

Vibrations