Geometry & MOs

Info

ID:	40426
PubChem CID:	8144101
Reduced:	N3O6H13C19 (1)
Stoich.:	A3B6C13D19 (1)
Weight, g/mol:	357.229051
ΔH_f, kcal/mol:	-36.81
Dipole, Da:	5.25
IP(EA), eV:	-9.6(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)/C=N\NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])OC(=O)C3=CC=CO3

DOS

IR

Vibrations