Geometry & MOs

Info

ID:	394191
PubChem CID:	135022506
Reduced:	NOC5H6 (4)
Stoich.:	ABC5D6 (4)
Weight, g/mol:	310.095357
ΔH_f, kcal/mol:	-79.57
Dipole, Da:	2.7
IP(EA), eV:	-9.13(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)NN(C1CC=C[C@H]1C2=CC=CC=C2N3C=CC=N3)C(=O)OCC

DOS

IR

Vibrations