Geometry & MOs

Info

ID:	413087
PubChem CID:	135086031
Reduced:	O3C12H20 (1)
Stoich.:	A3B12C20 (1)
Weight, g/mol:	232.109944
ΔH_f, kcal/mol:	-144.44
Dipole, Da:	1.83
IP(EA), eV:	-9.73(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-2-(2-formylphenyl)propyl] (E)-but-2-enoate

Drug info:

PubChemData

Smile

C/C(=C\COC(=O)C(C)(C)C)/CCC=O

DOS

IR

Vibrations