Geometry & MOs

Info

ID:	401033
PubChem CID:	135049825
Reduced:	NO2C14H23 (1)
Stoich.:	AB2C14D23 (1)
Weight, g/mol:	306.16198
ΔH_f, kcal/mol:	-94.06
Dipole, Da:	3.47
IP(EA), eV:	-10.46(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-3-tert-butyl-1,2-diphenylpent-2-ene-1,4-dione

Drug info:

PubChemData

Smile

CCCCCCCC/C(=C/COC(=O)C)/C#N

DOS

IR

Vibrations