Geometry & MOs

Info

ID:	289799
PubChem CID:	104373763
Reduced:	OF3C10H17 (1)
Stoich.:	AB3C10D17 (1)
Weight, g/mol:	223.093247
ΔH_f, kcal/mol:	-244.5
Dipole, Da:	3.43
IP(EA), eV:	-10.95(1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1,1,1-trifluoro-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-ol

Drug info:

PubChemData

Smile

CCC1CCC(CC1)[C@@H](C(F)(F)F)O

DOS

IR

Vibrations