Geometry & MOs

Info

ID:	65052
PubChem CID:	29204403
Reduced:	IN2O4C15H17 (1)
Stoich.:	AB2C4D15E17 (1)
Weight, g/mol:	416.0233
ΔH_f, kcal/mol:	-73.02
Dipole, Da:	4.62
IP(EA), eV:	-9.18(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

DOS

IR

Vibrations