Geometry & MOs

Info

ID:	371498
PubChem CID:	127346617
Reduced:	N2O4H22C23 (1)
Stoich.:	A2B4C22D23 (1)
Weight, g/mol:	357.162332
ΔH_f, kcal/mol:	-89.1
Dipole, Da:	3.27
IP(EA), eV:	-8.44(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)-1-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1CN(C(=O)C1C(=O)N2CC3(CC3)C4=CC=CC=C42)C5=CC6=C(C=C5)OCCO6

DOS

IR

Vibrations