Geometry & MOs

Info

ID:	48478
PubChem CID:	10586604
Reduced:	NCl2O2C10H11 (1)
Stoich.:	AB2C2D10E11 (1)
Weight, g/mol:	248.102414
ΔH_f, kcal/mol:	-20.64
Dipole, Da:	1.69
IP(EA), eV:	-9.32(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-(2-butoxyphenyl)-2,2,2-trifluoroethanol

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)COC(CCl)CCl)N=O

DOS

IR

Vibrations