Geometry & MOs

Info

ID:	264584
PubChem CID:	103472470
Reduced:	O2N5C14H17 (1)
Stoich.:	A2B5C14D17 (1)
Weight, g/mol:	291.119461
ΔH_f, kcal/mol:	50.57
Dipole, Da:	10.02
IP(EA), eV:	-9.52(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CC1(C2CNCC2CN1C3=NC(=C(C=C3)[N+](=O)[O-])C#N)C

DOS

IR

Vibrations