Geometry & MOs

Info

ID:	351507
PubChem CID:	127280395
Reduced:	O3N4C20H24 (1)
Stoich.:	A3B4C20D24 (1)
Weight, g/mol:	362.177647
ΔH_f, kcal/mol:	-63.07
Dipole, Da:	5.7
IP(EA), eV:	-9.26(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[2-(pyridin-2-ylmethylsulfanyl)acetyl]piperazin-1-yl]-2-pyrrolidin-1-ylethanone

Drug info:

PubChemData

Smile

C1CCN(C1)CC(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)C4=CN=CO4

DOS

IR

Vibrations