Geometry & MOs

Info

ID:	350134
PubChem CID:	127277212
Reduced:	SN3O3C20H29 (1)
Stoich.:	AB3C3D20E29 (1)
Weight, g/mol:	373.182398
ΔH_f, kcal/mol:	-124.92
Dipole, Da:	4.8
IP(EA), eV:	-8.52(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-8-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]sulfonylquinoline

Drug info:

PubChemData

Smile

C1CCN(CC1)CC2CCCN2S(=O)(=O)C3=CC4=C(C=C3)NC(=O)CCC4

DOS

IR

Vibrations