Geometry & MOs

Info

ID:	244867
PubChem CID:	99431520
Reduced:	N2F3O5H17C18 (1)
Stoich.:	A2B3C5D17E18 (1)
Weight, g/mol:	398.108956
ΔH_f, kcal/mol:	-245.87
Dipole, Da:	5.9
IP(EA), eV:	-10.2(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[C@@](CCNC(=O)COC2=CC=C(C=C2)[N+](=O)[O-])(C(F)(F)F)O

DOS

IR

Vibrations