Geometry & MOs

Info

ID:	36817
PubChem CID:	8013251
Reduced:	SN4O4C18H28 (1)
Stoich.:	AB4C4D18E28 (1)
Weight, g/mol:	345.147727
ΔH_f, kcal/mol:	-77.4
Dipole, Da:	8.34
IP(EA), eV:	-9.03(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-cyanocyclopentyl)-2-[4-(4-cyanophenyl)phenoxy]acetamide

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)[N+](=O)[O-])NN=C2CCCCCCC2

DOS

IR

Vibrations