Geometry & MOs

Info

ID:	419138
PubChem CID:	135107586
Reduced:	SN4O4C14H20 (1)
Stoich.:	AB4C4D14E20 (1)
Weight, g/mol:	298.204513
ΔH_f, kcal/mol:	-113.68
Dipole, Da:	4.84
IP(EA), eV:	-9.78(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5R)-7-(1H-indol-4-ylmethyl)-4-methoxy-7-azaspiro[4.5]decane

Drug info:

PubChemData

Smile

CN1C=C(C=C1C(=O)N[C@@H]2COC[C@H]2CS(=O)(=O)N(C)C)C#N

DOS

IR

Vibrations