Geometry & MOs

Info

ID:	329948
PubChem CID:	127246935
Reduced:	SO2N5C15H25 (1)
Stoich.:	AB2C5D15E25 (1)
Weight, g/mol:	312.158626
ΔH_f, kcal/mol:	-53.76
Dipole, Da:	6.02
IP(EA), eV:	-8.67(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]methyl]benzoic acid

Drug info:

PubChemData

Smile

CNC1=NC(=CN=C1)C2CCCN2C3CCN(CC3)S(=O)(=O)C

DOS

IR

Vibrations