Geometry & MOs

Info

ID:	361505
PubChem CID:	127303695
Reduced:	NO3C7H12 (2)
Stoich.:	AB3C7D12 (2)
Weight, g/mol:	348.216141
ΔH_f, kcal/mol:	-264.2
Dipole, Da:	3.8
IP(EA), eV:	-9.7(0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-cyanocyclopentyl)-3-[4-(oxolane-2-carbonyl)piperazin-1-yl]propanamide

Drug info:

PubChemData

Smile

CCC(CNC(=O)C1COCCO1)NC(=O)C2COCCO2

DOS

IR

Vibrations