Geometry & MOs

Info

ID:	385736
PubChem CID:	134979866
Reduced:	O2C13H16 (1)
Stoich.:	A2B13C16 (1)
Weight, g/mol:	318.183109
ΔH_f, kcal/mol:	-37.27
Dipole, Da:	2.81
IP(EA), eV:	-9.35(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(Z)-5-hydroxy-3-(1-hydroxy-2-phenylethyl)-2-methylidenepent-3-enyl] 2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

C=C(COCC1=CC=CC=C1)/C=C\CO

DOS

IR

Vibrations