Geometry & MOs

Info

ID:	310824
PubChem CID:	126587893
Reduced:	BrClO3C18H18 (1)
Stoich.:	ABC3D18E18 (1)
Weight, g/mol:	330.163123
ΔH_f, kcal/mol:	-98.93
Dipole, Da:	2.77
IP(EA), eV:	-8.64(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[2-[(4-ethyl-2-fluoro-5-methylphenoxy)methyl]-3-methylphenyl]acetate

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1)OCC2=C(C=CC=C2Br)CC(=O)OC)Cl

DOS

IR

Vibrations