Geometry & MOs

Info

ID:	41217
PubChem CID:	8145477
Reduced:	N3O5C23H27 (1)
Stoich.:	A3B5C23D27 (1)
Weight, g/mol:	361.203979
ΔH_f, kcal/mol:	-129.43
Dipole, Da:	8.97
IP(EA), eV:	-8.25(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OC)[C@@H]2CCCN2CC3=NC(=O)C4=CC(=C(C=C4N3)OC)OC

DOS

IR

Vibrations