Geometry & MOs

Info

ID:	305502
PubChem CID:	124957695
Reduced:	O2S2N3C13H17 (1)
Stoich.:	A2B2C3D13E17 (1)
Weight, g/mol:	324.147393
ΔH_f, kcal/mol:	-25.39
Dipole, Da:	4.64
IP(EA), eV:	-8.57(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-benzodioxol-5-yl-[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=CN(C(=N1)[C@@H]2CCCN2S(=O)(=O)C3=CC=CS3)C

DOS

IR

Vibrations