Geometry & MOs

Info

ID:	244897
PubChem CID:	99431554
Reduced:	NF3O3C21H24 (1)
Stoich.:	AB3C3D21E24 (1)
Weight, g/mol:	395.170828
ΔH_f, kcal/mol:	-263.9
Dipole, Da:	4.79
IP(EA), eV:	-8.5(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)OCCCC(=O)NCC[C@@](C2=CC=CC=C2)(C(F)(F)F)O

DOS

IR

Vibrations