Geometry & MOs

Info

ID:	310857
PubChem CID:	126588216
Reduced:	ClNO3C20H24 (1)
Stoich.:	ABC3D20E24 (1)
Weight, g/mol:	487.9484
ΔH_f, kcal/mol:	-87.76
Dipole, Da:	4.68
IP(EA), eV:	-8.03(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[2-[(2-bromo-4-ethylphenoxy)methyl]-3-iodophenyl]acetate

Drug info:

PubChemData

Smile

CCC1=C(C=C(C(=C1)C)OCC2=C(C=CC=C2Cl)N(C(=O)CC)O)C

DOS

IR

Vibrations