Geometry & MOs

Info

ID:	41246
PubChem CID:	8145527
Reduced:	FO2N4C20H29 (1)
Stoich.:	AB2C4D20E29 (1)
Weight, g/mol:	417.26658
ΔH_f, kcal/mol:	-127.91
Dipole, Da:	4.43
IP(EA), eV:	-8.54(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CC[C@]1(C(=O)N(C(=O)N1)CN2CCN(CC2)C3=CC=C(C=C3)F)C

DOS

IR

Vibrations