Geometry & MOs

Info

ID:	182344
PubChem CID:	76877018
Reduced:	O2N3C15H23 (1)
Stoich.:	A2B3C15D23 (1)
Weight, g/mol:	239.069477
ΔH_f, kcal/mol:	-54.85
Dipole, Da:	5.64
IP(EA), eV:	-8.63(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-ethynylphenyl)-5-oxo-2H-pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)OCC(=O)NCC2CNNC2

DOS

IR

Vibrations