Geometry & MOs

Info

ID:	167199
PubChem CID:	74793220
Reduced:	ClSN3O4C20H31 (1)
Stoich.:	ABC3D4E20F31 (1)
Weight, g/mol:	451.296068
ΔH_f, kcal/mol:	-147.03
Dipole, Da:	5.6
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752421
Charge, e:	1

Chem-info

IUPAC name:

N-[2-methoxy-1'-[(4-methoxy-2,3-dimethylphenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidin-1-ium]-1-yl]-2-methylpropanamide

Drug info:

PubChemData

Smile

C[NH+]1CCCC1CCNC(=O)C2=CC(=C(C=C2)OC3CCN(CC3)S(=O)(=O)C)Cl

DOS

IR

Vibrations