Geometry & MOs

Info

ID:	23537
PubChem CID:	604394
Reduced:	ON2H5C6 (2)
Stoich.:	AB2C5D6 (2)
Weight, g/mol:	242.080376
ΔH_f, kcal/mol:	8.59
Dipole, Da:	5.78
IP(EA), eV:	-10.69(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N,4-N-bis(cyanomethyl)benzene-1,4-dicarboxamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(=O)NCC#N)C(=O)NCC#N

DOS

IR

Vibrations