Geometry & MOs

Info

ID:	223351
PubChem CID:	85334901
Reduced:	ON4C9H12 (1)
Stoich.:	AB4C9D12 (1)
Weight, g/mol:	206.141913
ΔH_f, kcal/mol:	37.17
Dipole, Da:	5.92
IP(EA), eV:	-8.91(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-butan-2-yl-3-butan-2-ylidenepyrazin-2-one

Drug info:

PubChemData

Smile

CCCC(=NC(=C(C#N)N)C#N)OC

DOS

IR

Vibrations