Geometry & MOs

Info

ID:	11248
PubChem CID:	112459
Reduced:	NO2H19C20 (1)
Stoich.:	AB2C19D20 (1)
Weight, g/mol:	305.141579
ΔH_f, kcal/mol:	-6.3
Dipole, Da:	2.96
IP(EA), eV:	-9.11(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-butylphenyl) 3-(4-cyanophenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CCCCC1=CC=C(C=C1)OC(=O)C=CC2=CC=C(C=C2)C#N

DOS

IR

Vibrations