Geometry & MOs

Info

ID:	351599
PubChem CID:	127280491
Reduced:	O3N4C20H24 (1)
Stoich.:	A3B4C20D24 (1)
Weight, g/mol:	337.157246
ΔH_f, kcal/mol:	-92.73
Dipole, Da:	6.02
IP(EA), eV:	-9.09(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(4-ethylthiadiazole-5-carbonyl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone

Drug info:

PubChemData

Smile

C1CCN(C1)CC(=O)N2CCN(CC2)C(=O)C3=CC4=CC=CC=C4C(=O)N3

DOS

IR

Vibrations