Geometry & MOs

Info

ID:	351504
PubChem CID:	127280392
Reduced:	O3N4C18H26 (1)
Stoich.:	A3B4C18D26 (1)
Weight, g/mol:	309.125946
ΔH_f, kcal/mol:	-77.8
Dipole, Da:	3.32
IP(EA), eV:	-9.15(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-pyrrolidin-1-yl-1-[4-(thiadiazole-5-carbonyl)piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C(=NO2)C(=O)N3CCN(CC3)C(=O)CN4CCCC4

DOS

IR

Vibrations