Geometry & MOs

Info

ID:	361461
PubChem CID:	127303549
Reduced:	O3N5C19H23 (1)
Stoich.:	A3B5C19D23 (1)
Weight, g/mol:	362.152495
ΔH_f, kcal/mol:	-45.94
Dipole, Da:	1.14
IP(EA), eV:	-8.85(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methanone

Drug info:

PubChemData

Smile

CC1=NOC(=N1)CN2CCN(CC2)C(=O)CN3C(=O)CCC4=CC=CC=C43

DOS

IR

Vibrations