Geometry & MOs

Info

ID:	417319
PubChem CID:	135092046
Reduced:	SO4N5C13H21 (1)
Stoich.:	AB4C5D13E21 (1)
Weight, g/mol:	424.236208
ΔH_f, kcal/mol:	-126.83
Dipole, Da:	7.98
IP(EA), eV:	-9.47(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methoxyanilino)-1-(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-2-methylpropan-1-one

Drug info:

PubChemData

Smile

CNC1=NC=C(C=N1)C(=O)N[C@H]2COC[C@H]2CS(=O)(=O)N(C)C

DOS

IR

Vibrations