Geometry & MOs

Info

ID:	195328
PubChem CID:	78673016
Reduced:	NO3H19C21 (1)
Stoich.:	AB3C19D21 (1)
Weight, g/mol:	347.152144
ΔH_f, kcal/mol:	-37.5
Dipole, Da:	6.43
IP(EA), eV:	-9.84(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-tert-butylphenyl)-2-oxoethyl] 3-(4-cyanophenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CCCC1=CC=C(C=C1)C(=O)COC(=O)C=CC2=CC=C(C=C2)C#N

DOS

IR

Vibrations