Geometry & MOs

Info

ID:	310823
PubChem CID:	126587890
Reduced:	FO4C19H21 (1)
Stoich.:	AB4C19D21 (1)
Weight, g/mol:	396.01278
ΔH_f, kcal/mol:	-181.08
Dipole, Da:	2.17
IP(EA), eV:	-8.81(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1)OCC2=C(C=CC=C2OC)CC(=O)OC)F

DOS

IR

Vibrations