Geometry & MOs

Info

ID:	126179
PubChem CID:	50954773
Reduced:	O2N4C17H18 (1)
Stoich.:	A2B4C17D18 (1)
Weight, g/mol:	347.232125
ΔH_f, kcal/mol:	-18.91
Dipole, Da:	7.85
IP(EA), eV:	-8.45(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,6aR)-5-cyclopentyl-N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC2=C(C=C1)NC(=O)C(=C2)C3C4=C(CCN3)NC=N4

DOS

IR

Vibrations