Geometry & MOs

Info

ID:	391151
PubChem CID:	135003169
Reduced:	N2O3C23H24 (1)
Stoich.:	A2B3C23D24 (1)
Weight, g/mol:	301.131408
ΔH_f, kcal/mol:	-71.32
Dipole, Da:	6.0
IP(EA), eV:	-9.69(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl (E)-4-benzyl-4-cyanopent-2-enedioate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N[C@@H](C1=CC=CC=C1)C2(CCC3=CC=CC=C3C2=O)C#N

DOS

IR

Vibrations