Geometry & MOs

Info

ID:	387812
PubChem CID:	134987014
Reduced:	BrNOC11H12 (1)
Stoich.:	ABCD11E12 (1)
Weight, g/mol:	242.153147
ΔH_f, kcal/mol:	-26.94
Dipole, Da:	5.69
IP(EA), eV:	-9.43(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6-ditert-butylpyrazine-2,3-dicarbonitrile

Drug info:

PubChemData

Smile

CCN1CCC2=C(C1=O)C=C(C=C2)Br

DOS

IR

Vibrations