Geometry & MOs

Info

ID:	11086
PubChem CID:	110837
Reduced:	NO2H6C7 (2)
Stoich.:	AB2C6D7 (2)
Weight, g/mol:	272.079707
ΔH_f, kcal/mol:	-82.72
Dipole, Da:	4.96
IP(EA), eV:	-10.76(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

bis(1-cyanoethyl) benzene-1,2-dicarboxylate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations