Geometry & MOs

Info

ID:	165664
PubChem CID:	74581542
Reduced:	SN5C16H22 (1)
Stoich.:	AB5C16D22 (1)
Weight, g/mol:	398.219215
ΔH_f, kcal/mol:	107.89
Dipole, Da:	8.82
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754738
Charge, e:	1

Chem-info

IUPAC name:

3-methoxy-N-(1-oxo-1-spiro[3,5,6,7-tetrahydroimidazo[4,5-c]pyridin-3-ium-4,4'-piperidine]-1'-ylpropan-2-yl)benzamide

Drug info:

PubChemData

Smile

C1C[NH+](CCC1N2C=C(N=N2)C3=CN=CC=C3)C4CCSC4

DOS

IR

Vibrations