Geometry & MOs

Info

ID:	150335
PubChem CID:	53790023
Reduced:	OC4H6 (5)
Stoich.:	AB4C6 (5)
Weight, g/mol:	252.099774
ΔH_f, kcal/mol:	-240.37
Dipole, Da:	5.62
IP(EA), eV:	-10.18(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-ethoxy-2-oxoethyl) (2R)-2-(4-hydroxyphenyl)propanoate

Drug info:

PubChemData

Smile

C[C@H]1CCC2CC(CC(C2[C@H]1CCC3C[C@H](CC(=O)O3)O)C=O)C=O

DOS

IR

Vibrations