Geometry & MOs

Info

ID:	65050
PubChem CID:	29204399
Reduced:	ION3H16C18 (1)
Stoich.:	ABC3D16E18 (1)
Weight, g/mol:	416.0233
ΔH_f, kcal/mol:	50.89
Dipole, Da:	6.67
IP(EA), eV:	-8.79(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)NC3=CC=C(C=C3)I

DOS

IR

Vibrations