Geometry & MOs

Info

ID:	271826
PubChem CID:	103693322
Reduced:	NF4C12H13 (1)
Stoich.:	AB4C12D13 (1)
Weight, g/mol:	235.082013
ΔH_f, kcal/mol:	-178.58
Dipole, Da:	3.01
IP(EA), eV:	-9.98(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-3-[3-(trifluoromethoxy)phenyl]propan-1-ol

Drug info:

PubChemData

Smile

C1CC1CC(C2=CC(=C(C=C2)C(F)(F)F)F)N

DOS

IR

Vibrations