Geometry & MOs

Info

ID:	421850
PubChem CID:	135116720
Reduced:	SN4O4C14H24 (1)
Stoich.:	AB4C4D14E24 (1)
Weight, g/mol:	390.251858
ΔH_f, kcal/mol:	-140.08
Dipole, Da:	3.03
IP(EA), eV:	-9.51(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-(6,7-dimethoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-4-methyl-2-(methylamino)pentan-1-one

Drug info:

PubChemData

Smile

CCC1=NN(C(=C1)C(=O)N[C@@H]2COC[C@H]2CS(=O)(=O)N(C)C)C

DOS

IR

Vibrations