Geometry & MOs

Info

ID:	421970
PubChem CID:	135116935
Reduced:	SN4O5C16H20 (1)
Stoich.:	AB4C5D16E20 (1)
Weight, g/mol:	353.246713
ΔH_f, kcal/mol:	-158.04
Dipole, Da:	4.93
IP(EA), eV:	-9.56(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[[(3aS,6aR)-5-(dimethylamino)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-methylamino]methyl]-6-methyl-1H-quinolin-2-one

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)C2=CN=C3C=CC=CN3C2=O

DOS

IR

Vibrations