Geometry & MOs

Info

ID:	346799
PubChem CID:	127271303
Reduced:	OSN5C20H35 (1)
Stoich.:	ABC5D20E35 (1)
Weight, g/mol:	340.182064
ΔH_f, kcal/mol:	-51.72
Dipole, Da:	1.32
IP(EA), eV:	-8.47(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-bicyclo[2.2.1]heptanyl)-1-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC(C)C1=NC(=CS1)CCNC(=O)NC2CCN(CC2)C3CCN(CC3)C

DOS

IR

Vibrations