Geometry & MOs

Info

ID:	310868
PubChem CID:	126588259
Reduced:	INF2O2C19H20 (1)
Stoich.:	ABC2D2E19F20 (1)
Weight, g/mol:	390.08306
ΔH_f, kcal/mol:	-142.77
Dipole, Da:	6.27
IP(EA), eV:	-9.31(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[3-bromo-2-[(4-ethyl-2,5-dimethylphenoxy)methyl]phenyl]acetate

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1)OCC2=C(C=CC=C2I)CC(=O)NC)C(F)F

DOS

IR

Vibrations