Geometry & MOs

Info

ID:	365865
PubChem CID:	127319098
Reduced:	SN3O3C16H29 (1)
Stoich.:	AB3C3D16E29 (1)
Weight, g/mol:	295.189592
ΔH_f, kcal/mol:	-142.77
Dipole, Da:	5.3
IP(EA), eV:	-9.12(0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide

Drug info:

PubChemData

Smile

CN(CC(=O)N1CCCC(C1)N2CCCC2)C3CCS(=O)(=O)C3

DOS

IR

Vibrations