Geometry & MOs

Info

ID:	350121
PubChem CID:	127277199
Reduced:	SO2N3C12H21 (1)
Stoich.:	AB2C3D12E21 (1)
Weight, g/mol:	359.166748
ΔH_f, kcal/mol:	-78.26
Dipole, Da:	6.29
IP(EA), eV:	-9.25(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]sulfonylisoquinoline

Drug info:

PubChemData

Smile

CCC1CCCN1S(=O)(=O)C2=C(N(N=C2C)C)C

DOS

IR

Vibrations