Geometry & MOs

Info

ID:	41255
PubChem CID:	8145542
Reduced:	FO2N4C20H28 (1)
Stoich.:	AB2C4D20E28 (1)
Weight, g/mol:	375.219629
ΔH_f, kcal/mol:	-100.13
Dipole, Da:	4.94
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.756869
Charge, e:	1

Chem-info

IUPAC name:

(5R,6S)-3-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione

Drug info:

PubChemData

Smile

C[C@@H]1CCCC[C@]12C(=O)N(C(=O)N2)C[NH+]3CCN(CC3)C4=CC=C(C=C4)F

DOS

IR

Vibrations