Geometry & MOs

Info

ID:	189746
PubChem CID:	77899016
Reduced:	SN2O5C19H26 (1)
Stoich.:	AB2C5D19E26 (1)
Weight, g/mol:	328.164774
ΔH_f, kcal/mol:	-159.65
Dipole, Da:	1.05
IP(EA), eV:	-9.12(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C(=CC=C1)OC)C(=O)N2CCN(C3C2CS(=O)(=O)C3)CC4CC4

DOS

IR

Vibrations