Geometry & MOs

Info

ID:	365229
PubChem CID:	127317077
Reduced:	SO2N4C16H22 (1)
Stoich.:	AB2C4D16E22 (1)
Weight, g/mol:	328.189926
ΔH_f, kcal/mol:	-39.59
Dipole, Da:	7.7
IP(EA), eV:	-8.83(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-methoxyphenyl)-3-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CC1CN2CCCC2CN1CC3=NS(=O)(=O)C4=CC=CC=C4N3

DOS

IR

Vibrations