Geometry & MOs

Info

ID:	414734
PubChem CID:	135087695
Reduced:	SO3N4C18H26 (1)
Stoich.:	AB3C4D18E26 (1)
Weight, g/mol:	366.194343
ΔH_f, kcal/mol:	-72.37
Dipole, Da:	4.75
IP(EA), eV:	-8.84(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-3-pyridin-4-ylpropan-1-one

Drug info:

PubChemData

Smile

CN1C=NN=C1SCC(=O)N2CCC[C@@]3([C@@H]2CCOC3)C4=CCOCC4

DOS

IR

Vibrations