Geometry & MOs

Info

ID:	283341
PubChem CID:	103976108
Reduced:	SO2N3C12H27 (1)
Stoich.:	AB2C3D12E27 (1)
Weight, g/mol:	314.141262
ΔH_f, kcal/mol:	-114.58
Dipole, Da:	2.99
IP(EA), eV:	-9.31(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(1-aminoethyl)pyrrolidin-1-yl]sulfonyl-N,1-dimethylpyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CCCN(CCC)S(=O)(=O)N1CCC(C1)C(C)N

DOS

IR

Vibrations