Geometry & MOs

Info

ID:	394192
PubChem CID:	135022508
Reduced:	N2O4H14C17 (1)
Stoich.:	A2B4C14D17 (1)
Weight, g/mol:	356.100836
ΔH_f, kcal/mol:	-54.46
Dipole, Da:	3.94
IP(EA), eV:	-9.73(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl (E)-2-[2,2-dicyano-1-(3,4-dimethoxyphenyl)ethenyl]but-2-enedioate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=C(C#N)C#N)/C(=C\C(=O)OC)/C(=O)OC

DOS

IR

Vibrations