Geometry & MOs

Info

ID:	257622
PubChem CID:	103147439
Reduced:	O2F3C11H21 (1)
Stoich.:	A2B3C11D21 (1)
Weight, g/mol:	301.103811
ΔH_f, kcal/mol:	-289.88
Dipole, Da:	5.72
IP(EA), eV:	-10.21(0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-phenyltriazol-4-yl)-3-(2,2,2-trifluoroethoxy)propan-1-ol

Drug info:

PubChemData

Smile

CCC(CC)CC(CCOCC(F)(F)F)O

DOS

IR

Vibrations