Geometry & MOs

Info

ID:	419935
PubChem CID:	135109865
Reduced:	SN3O4C15H23 (1)
Stoich.:	AB3C4D15E23 (1)
Weight, g/mol:	319.153206
ΔH_f, kcal/mol:	-143.38
Dipole, Da:	5.64
IP(EA), eV:	-9.61(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(6-methoxy-1,3-benzodioxol-5-yl)methyl-[(2-methyl-1H-imidazol-5-yl)methyl]amino]ethanol

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)CCC2=CC=NC=C2

DOS

IR

Vibrations