Geometry & MOs

Info

ID:	333769
PubChem CID:	127252321
Reduced:	N2O2C12H15 (2)
Stoich.:	A2B2C12D15 (2)
Weight, g/mol:	288.140868
ΔH_f, kcal/mol:	-111.85
Dipole, Da:	6.63
IP(EA), eV:	-9.44(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methylpropyl)-5-(6-pyrrolidin-2-ylpyrazin-2-yl)-1,3-thiazole

Drug info:

PubChemData

Smile

CC(=O)NC1CCN(CC1)C(=O)C2(CCN(C2)C(=O)C)CC3=CC(=NO3)C4=CC=CC=C4

DOS

IR

Vibrations