Geometry & MOs

Info

ID:	312301
PubChem CID:	126604169
Reduced:	BrClO3C20H22 (1)
Stoich.:	ABC3D20E22 (1)
Weight, g/mol:	426.02335
ΔH_f, kcal/mol:	-112.31
Dipole, Da:	2.19
IP(EA), eV:	-8.94(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(2-bromo-5-chloro-4-ethylphenoxy)methyl]-3-methoxyphenyl] propanoate

Drug info:

PubChemData

Smile

CCC1=C(C(=CC=C1)OC(=O)CC)COC2=C(C=C(C(=C2)Cl)CC)Br

DOS

IR

Vibrations