Geometry & MOs

Info

ID:	329710
PubChem CID:	127246577
Reduced:	SO2N3C15H23 (1)
Stoich.:	AB2C3D15E23 (1)
Weight, g/mol:	311.126991
ΔH_f, kcal/mol:	-73.59
Dipole, Da:	5.44
IP(EA), eV:	-9.51(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-benzodioxol-5-yl-[3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=NC(=NC=C1)C2CCN(C2)S(=O)(=O)C3CCCCC3

DOS

IR

Vibrations