Geometry & MOs

Info

ID:	41389
PubChem CID:	8145783
Reduced:	N3O3C22H26 (1)
Stoich.:	A3B3C22D26 (1)
Weight, g/mol:	377.174429
ΔH_f, kcal/mol:	-46.58
Dipole, Da:	9.03
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.770044
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H](C1=NC(=O)C2=CC=CC=C2N1)[NH+]3CCC[C@H]3C4=C(C=C(C=C4)OC)OC

DOS

IR

Vibrations