Geometry & MOs

Info

ID:	38775
PubChem CID:	8137908
Reduced:	O3N5C11H13 (1)
Stoich.:	A3B5C11D13 (1)
Weight, g/mol:	411.161663
ΔH_f, kcal/mol:	-62.73
Dipole, Da:	3.19
IP(EA), eV:	-9.24(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(O1)C)C(=O)OCC2=NC(=NC(=N2)N)N

DOS

IR

Vibrations