Geometry & MOs

Info

ID:	404855
PubChem CID:	135071522
Reduced:	ClN2H17C23 (1)
Stoich.:	AB2C17D23 (1)
Weight, g/mol:	290.151809
ΔH_f, kcal/mol:	121.01
Dipole, Da:	6.86
IP(EA), eV:	-8.85(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 2-[(E)-5-(4-methylphenyl)pent-4-enyl]propanedioate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)/C=C/C2=C(C=CC(=C2)Cl)N/C(=C\C#N)/C3=CC=CC=C3

DOS

IR

Vibrations