Geometry & MOs

Info

ID:	288023
PubChem CID:	104308622
Reduced:	ClN3C8H10 (1)
Stoich.:	AB3C8D10 (1)
Weight, g/mol:	213.030504
ΔH_f, kcal/mol:	39.02
Dipole, Da:	5.28
IP(EA), eV:	-9.09(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-3-(4-methyl-2,3-dioxopyrazin-1-yl)propanenitrile

Drug info:

PubChemData

Smile

CC1=C(N(C=N1)CC(C#N)Cl)C

DOS

IR

Vibrations