Geometry & MOs

Info

ID:	27407
PubChem CID:	821185
Reduced:	ON2C14H22 (1)
Stoich.:	AB2C14D22 (1)
Weight, g/mol:	220.074896
ΔH_f, kcal/mol:	-58.01
Dipole, Da:	3.59
IP(EA), eV:	-9.69(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-benzylpyrazine-2,3-dicarbonitrile

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=CC(=N1)C(C)(C)C)C(=O)N

DOS

IR

Vibrations