Geometry & MOs

Info

ID:	350063
PubChem CID:	127276936
Reduced:	N3O4C19H27 (1)
Stoich.:	A3B4C19D27 (1)
Weight, g/mol:	343.192963
ΔH_f, kcal/mol:	-132.44
Dipole, Da:	3.74
IP(EA), eV:	-8.55(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]-2-(2-ethylpyrrolidin-1-yl)ethanone

Drug info:

PubChemData

Smile

C1CN(CCC1CN2CCOCC2)CC(=O)NC3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations