Geometry & MOs

Info

ID:	351454
PubChem CID:	127280342
Reduced:	N3O3C21H29 (1)
Stoich.:	A3B3C21D29 (1)
Weight, g/mol:	336.161997
ΔH_f, kcal/mol:	-88.78
Dipole, Da:	7.34
IP(EA), eV:	-9.0(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]-3-(1,3-thiazol-2-yl)propan-1-one

Drug info:

PubChemData

Smile

C1CCN(C1)CC(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)OCC4CC4

DOS

IR

Vibrations