Geometry & MOs

Info

ID:	266726
PubChem CID:	103579215
Reduced:	NOC15H19 (1)
Stoich.:	ABC15D19 (1)
Weight, g/mol:	205.085127
ΔH_f, kcal/mol:	-9.01
Dipole, Da:	3.75
IP(EA), eV:	-9.25(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-oxo-N-pent-1-yn-3-yl-1H-pyrazine-3-carboxamide

Drug info:

PubChemData

Smile

CCC(C#C)NC(=O)CCC1=CC=CC(=C1)C

DOS

IR

Vibrations