Geometry & MOs

Info

ID:	290427
PubChem CID:	104497638
Reduced:	FSN2O2C13H19 (1)
Stoich.:	ABC2D2E13F19 (1)
Weight, g/mol:	285.151098
ΔH_f, kcal/mol:	-118.33
Dipole, Da:	4.24
IP(EA), eV:	-9.54(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-methyl-4-(3-propylpyrrolidin-1-yl)sulfonylpyrrol-2-yl]methanamine

Drug info:

PubChemData

Smile

CCC1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)CN)F

DOS

IR

Vibrations