Geometry & MOs

Info

ID:	339112
PubChem CID:	127260491
Reduced:	ClO5H11C14 (1)
Stoich.:	AB5C11D14 (1)
Weight, g/mol:	316.086622
ΔH_f, kcal/mol:	-182.31
Dipole, Da:	1.52
IP(EA), eV:	-9.17(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-chloro-3-(2-ethenyl-4-hydroxyphenyl)propyl] benzoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)OCC2=C(C(=C(C=C2O)O)Cl)O

DOS

IR

Vibrations