Geometry & MOs

Info

ID:	349813
PubChem CID:	127276205
Reduced:	ClO2N4C20H29 (1)
Stoich.:	AB2C4D20E29 (1)
Weight, g/mol:	371.177982
ΔH_f, kcal/mol:	-95.3
Dipole, Da:	2.37
IP(EA), eV:	-8.67(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]-2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethanone

Drug info:

PubChemData

Smile

C1CCN(CC1)CC2CCCN2C(=O)CNC(=O)NCC3=CC=C(C=C3)Cl

DOS

IR

Vibrations