Geometry & MOs

Info

ID:	310930
PubChem CID:	126588524
Reduced:	BrF2O3C19H19 (1)
Stoich.:	AB2C3D19E19 (1)
Weight, g/mol:	378.164266
ΔH_f, kcal/mol:	-197.65
Dipole, Da:	2.69
IP(EA), eV:	-9.49(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[2-[[2-(difluoromethyl)-4-ethylphenoxy]methyl]-3-ethoxyphenyl]acetate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations