Geometry & MOs

Info

ID:	244896
PubChem CID:	99431552
Reduced:	NF3O3C21H24 (1)
Stoich.:	AB3C3D21E24 (1)
Weight, g/mol:	395.170828
ΔH_f, kcal/mol:	-246.34
Dipole, Da:	6.77
IP(EA), eV:	-9.03(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-methylphenoxy)-N-[(3R)-4,4,4-trifluoro-3-hydroxy-3-phenylbutyl]butanamide

Drug info:

PubChemData

Smile

C[C@@H]1C[C@H]1C2=CC=C(O2)CCC(=O)NCC[C@@](C3=CC=CC=C3)(C(F)(F)F)O

DOS

IR

Vibrations