Geometry & MOs

Info

ID:	182359
PubChem CID:	76880664
Reduced:	N2O3H14C16 (1)
Stoich.:	A2B3C14D16 (1)
Weight, g/mol:	290.047361
ΔH_f, kcal/mol:	-28.11
Dipole, Da:	4.89
IP(EA), eV:	-8.85(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]-5-oxo-2H-pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C#CCO)NC(=O)C2C=CC=NC2=O

DOS

IR

Vibrations