Geometry & MOs

Info

ID:	394193
PubChem CID:	135022509
Reduced:	NO3H8C9 (2)
Stoich.:	AB3C8D9 (2)
Weight, g/mol:	324.111007
ΔH_f, kcal/mol:	-118.9
Dipole, Da:	5.47
IP(EA), eV:	-8.73(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl (E)-2-[2,2-dicyano-1-(2,4-dimethylphenyl)ethenyl]but-2-enedioate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(=C(C#N)C#N)/C(=C\C(=O)OC)/C(=O)OC)OC

DOS

IR

Vibrations