Geometry & MOs

Info

ID:	351465
PubChem CID:	127280353
Reduced:	N3O4C19H25 (1)
Stoich.:	A3B4C19D25 (1)
Weight, g/mol:	362.177647
ΔH_f, kcal/mol:	-135.14
Dipole, Da:	6.34
IP(EA), eV:	-8.9(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[2-(pyridin-3-ylmethylsulfanyl)acetyl]piperazin-1-yl]-2-pyrrolidin-1-ylethanone

Drug info:

PubChemData

Smile

C1CCN(C1)CC(=O)N2CCN(CC2)C(=O)CC3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations