Geometry & MOs

Info

ID:	365014
PubChem CID:	127316664
Reduced:	ON5C21H23 (1)
Stoich.:	AB5C21D23 (1)
Weight, g/mol:	320.221226
ΔH_f, kcal/mol:	59.57
Dipole, Da:	6.65
IP(EA), eV:	-8.5(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propan-1-one

Drug info:

PubChemData

Smile

CC1CN2CCCC2CN1C(=O)C3=C4N=CC=C(N4N=C3)C5=CC=CC=C5

DOS

IR

Vibrations