Geometry & MOs

Info

ID:	414618
PubChem CID:	135087577
Reduced:	O4N9C28H33 (1)
Stoich.:	A4B9C28D33 (1)
Weight, g/mol:	358.157581
ΔH_f, kcal/mol:	-62.17
Dipole, Da:	8.85
IP(EA), eV:	-8.81(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-pyrimidin-2-ylpiperazin-1-yl)-1-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N[C@@H](C(=O)NCCCN(CCCC(=O)N1)C(=O)C2=NN=C3N2C=CC(=N3)C)CC4=CNC5=CC=CC=C54

DOS

IR

Vibrations