Geometry & MOs

Info

ID:	45859
PubChem CID:	10518304
Reduced:	SO4H12C16 (1)
Stoich.:	AB4C12D16 (1)
Weight, g/mol:	300.136159
ΔH_f, kcal/mol:	-116.35
Dipole, Da:	4.38
IP(EA), eV:	-9.09(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[3-(4-methoxyphenoxy)phenyl]propanoate

Drug info:

PubChemData

Smile

CC1=C(C(=O)OC2=C1C(=C(C=C2)C(=O)C)O)C3=CC=CS3

DOS

IR

Vibrations