Geometry & MOs

Info

ID:	62350
PubChem CID:	26719438
Reduced:	N3O5C27H30 (1)
Stoich.:	A3B5C27D30 (1)
Weight, g/mol:	475.270916
ΔH_f, kcal/mol:	-14.49
Dipole, Da:	23.57
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.977942
Charge, e:	1

Chem-info

IUPAC name:

3-[3-(4-benzhydrylpiperazin-4-ium-1-yl)-3-oxopropyl]-1,3-diazaspiro[4.5]decane-2,4-dione

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)OC

DOS

IR

Vibrations