Geometry & MOs

Info

ID:	65233
PubChem CID:	29204646
Reduced:	N2F3O5C16H17 (1)
Stoich.:	A2B3C5D16E17 (1)
Weight, g/mol:	374.108956
ΔH_f, kcal/mol:	-291.19
Dipole, Da:	5.34
IP(EA), eV:	-9.4(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1R,2R,3S)-3-methyl-2-(nitromethyl)-5-oxocyclopentyl]-N-[4-(trifluoromethoxy)phenyl]acetamide

Drug info:

PubChemData

Smile

C[C@@H]1CC(=O)[C@@H]([C@@H]1C[N+](=O)[O-])CC(=O)NC2=CC=C(C=C2)OC(F)(F)F

DOS

IR

Vibrations