Geometry & MOs

Info

ID:	349814
PubChem CID:	127276206
Reduced:	OSN5C19H25 (1)
Stoich.:	ABC5D19E25 (1)
Weight, g/mol:	371.224263
ΔH_f, kcal/mol:	18.45
Dipole, Da:	2.63
IP(EA), eV:	-8.86(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-ethylsulfonylpiperidin-3-yl)-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CCN(CC1)CC2CCCN2C(=O)CC3=CSC(=N3)C4=NC=CN=C4

DOS

IR

Vibrations