Geometry & MOs

Info

ID:	351462
PubChem CID:	127280350
Reduced:	O2N5C20H29 (1)
Stoich.:	A2B5C20D29 (1)
Weight, g/mol:	369.208613
ΔH_f, kcal/mol:	-59.46
Dipole, Da:	9.3
IP(EA), eV:	-8.61(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(C1)CC(=O)N2CCN(CC2)C(=O)C3=CN=C(C=C3)N4CCCC4

DOS

IR

Vibrations