Geometry & MOs

Info

ID:	232588
PubChem CID:	87576471
Reduced:	O2H18C29 (1)
Stoich.:	A2B18C29 (1)
Weight, g/mol:	232.109944
ΔH_f, kcal/mol:	114.51
Dipole, Da:	0.92
IP(EA), eV:	-8.7(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-2-hydroxy-4-phenylbut-3-en-2-yl] 2-methylprop-2-enoate

Drug info:

PubChemData

Smile

CC1=C(C(=O)C2=CC=CC=C2C1=O)C3=CC=CC4=C3C5=CC6=CC=CC=C6C=C5C=C4

DOS

IR

Vibrations