Geometry & MOs

Info

ID:	64413
PubChem CID:	29200211
Reduced:	ClFN4O4C20H20 (1)
Stoich.:	ABC4D4E20F20 (1)
Weight, g/mol:	308.117235
ΔH_f, kcal/mol:	-89.07
Dipole, Da:	4.69
IP(EA), eV:	-9.33(-1.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCN1CCNC(=O)C2=CC=C(C=C2)F)C(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

DOS

IR

Vibrations