Geometry & MOs

Info

ID:	351628
PubChem CID:	127280520
Reduced:	O2N4C23H30 (1)
Stoich.:	A2B4C23D30 (1)
Weight, g/mol:	348.161997
ΔH_f, kcal/mol:	-64.79
Dipole, Da:	9.0
IP(EA), eV:	-8.4(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C3=C(N2)C=CC(=C3)C(=O)N4CCN(CC4)C(=O)CN5CCCC5

DOS

IR

Vibrations