Geometry & MOs

Info

ID:	244908
PubChem CID:	99431571
Reduced:	F3N3O3C22H22 (1)
Stoich.:	A3B3C3D22E22 (1)
Weight, g/mol:	411.165743
ΔH_f, kcal/mol:	-198.85
Dipole, Da:	6.06
IP(EA), eV:	-9.26(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NOC(=N2)CCC(=O)NCC[C@](C3=CC=CC=C3)(C(F)(F)F)O

DOS

IR

Vibrations