Geometry & MOs

Info

ID:	349073
PubChem CID:	127274799
Reduced:	ON2C9H13 (2)
Stoich.:	AB2C9D13 (2)
Weight, g/mol:	329.131031
ΔH_f, kcal/mol:	-47.49
Dipole, Da:	2.62
IP(EA), eV:	-8.63(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-cyclopropylpiperazin-1-yl)-2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethanone

Drug info:

PubChemData

Smile

CC(C)C(C(=O)N1CCN(CC1)C2CC2)NC(=O)C3=CC=CC=N3

DOS

IR

Vibrations