Geometry & MOs

Info

ID:	244866
PubChem CID:	99431519
Reduced:	N2F3O3C18H23 (1)
Stoich.:	A2B3C3D18E23 (1)
Weight, g/mol:	398.108956
ΔH_f, kcal/mol:	-290.92
Dipole, Da:	7.84
IP(EA), eV:	-9.45(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-nitrophenoxy)-N-[(3S)-4,4,4-trifluoro-3-hydroxy-3-phenylbutyl]acetamide

Drug info:

PubChemData

Smile

CC(=O)N1CCC(CC1)C(=O)NCC[C@](C2=CC=CC=C2)(C(F)(F)F)O

DOS

IR

Vibrations