Geometry & MOs

Info

ID:	41253
PubChem CID:	8145538
Reduced:	ON3C23H30 (1)
Stoich.:	AB3C23D30 (1)
Weight, g/mol:	374.211804
ΔH_f, kcal/mol:	6.76
Dipole, Da:	7.64
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.763543
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@H](C)C1=CC=C(C=C1)[C@@H](C(C)C)[NH2+]CC2=NC(=O)C3=CC=CC=C3N2

DOS

IR

Vibrations